data_1cpz_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 1cpz _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.453 ' NE2' ' CG1' ' A' ' 67' ' ' VAL . 1.5 mm100 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.439 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt-20 -134.45 159.47 40.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -137.48 146.53 44.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.479 ' HB2' ' CD1' ' A' ' 68' ' ' ILE . 1.9 t -97.6 132.19 43.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 57.4 t -104.71 128.92 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -129.01 46.7 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.78 24.12 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 ttm -75.11 153.34 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 58.6 m -118.21 -36.1 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 10' ' ' SER . 6.0 t 87.61 53.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.63 69.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 t60 77.6 0.3 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.641 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' VAL . 22.8 m -65.99 -59.02 4.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.8 t -40.6 -49.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.28 -56.73 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.7 -48.16 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.478 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 50.7 mt -63.54 -57.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -49.35 -53.62 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.75 -45.37 86.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.33 -35.83 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 48.2 t -73.09 -54.01 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.84 -18.93 6.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -18.83 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 13.6 mt -64.33 113.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 31.2 t -59.41 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.05 -18.64 1.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 44' ' ' PHE . 6.4 t -87.93 130.76 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -84.59 -48.18 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.07 141.2 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 32' ' ' LYS . 1.7 p -136.76 151.59 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -140.09 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.22 139.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -118.42 107.3 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.429 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 63.8 tp -65.27 161.78 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.1 15.82 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 11.5 tttt -120.81 -35.86 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 13.5 mt-10 69.02 41.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.57 145.0 21.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.71 134.86 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 5.3 p -98.3 133.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.573 HG13 ' CZ ' ' A' ' 4' ' ' PHE . 11.8 p -122.29 145.8 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -126.25 74.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' CD2' ' N ' ' A' ' 45' ' ' ASP . 29.6 p90 -120.59 -163.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.465 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 5.2 t0 -143.16 144.75 32.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.16 -12.35 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 6.58 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.28 -51.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG12 ' CG2' ' A' ' 25' ' ' ILE . 28.8 t -150.42 159.21 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 2.2 mp0 -103.48 145.5 29.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.85 79.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -46.49 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -36.69 84.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 4' ' ' PHE . 52.1 mt -62.08 -36.92 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -42.56 94.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tp60 -58.67 -45.5 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.67 -29.26 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 9.7 mt -78.31 -48.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -65.19 -28.03 69.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -65.51 -9.6 27.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.9 mt -81.17 -77.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.66 39.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.13 -174.16 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.9 tt0 -105.28 111.85 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.441 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -120.2 141.89 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -151.51 132.86 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.453 ' CG1' ' NE2' ' A' ' 2' ' ' GLN . 90.7 t -63.99 123.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 5' ' ' SER . 97.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.505 ' OE1' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.49 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 3.8 pt-20 -94.88 161.05 14.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -136.06 151.08 49.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.486 ' CA ' HD13 ' A' ' 68' ' ' ILE . 1.8 t -98.4 131.19 44.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 t -100.68 136.32 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' GLN . 3.7 mttt -135.6 162.57 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.42 -14.84 21.06 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.418 ' CG ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -63.68 147.07 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.736 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 25.0 p -145.01 16.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 90.48 -134.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 67.15 19.32 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 87.98 21.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' CG ' ' A' ' 9' ' ' MET . 9.9 m -66.66 -50.37 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.59 -48.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.15 -58.39 6.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -45.22 -49.0 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 22' ' ' VAL . 63.6 mt -62.63 -55.62 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.63 -53.92 21.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -65.29 -47.99 74.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.1 -34.11 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 31' ' ' VAL . 21.1 t -75.0 -34.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -3.66 54.36 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -89.02 -15.95 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.8 mt -65.13 108.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -57.95 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.74 -14.05 2.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.0 t -83.87 131.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -47.49 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.08 145.02 50.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 22' ' ' VAL . 2.4 p -149.25 144.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 6.1 tttt -155.02 167.24 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 ' CB ' ' A' ' 40' ' ' ALA . 79.5 t -150.6 133.06 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 89.5 mm-40 -108.91 122.31 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tp -67.28 -48.51 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.48 43.36 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -147.1 -37.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.7 mt-10 71.41 33.71 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -151.24 160.51 43.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.473 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 10.3 p -98.52 144.42 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 43' ' ' LYS . 80.4 t -145.44 141.91 22.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' N ' HG11 ' A' ' 42' ' ' VAL . 1.2 tttm -127.03 85.64 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 16.1 p90 -120.47 -179.95 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -96.55 132.86 41.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.77 -23.92 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.11 13.0 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.28 -53.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.7 t -134.68 160.01 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 36.4 mm-40 -113.09 147.18 37.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.12 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 t -51.01 -42.31 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.04 93.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 44' ' ' PHE . 70.8 mt -60.64 -36.83 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.43 ' SG ' ' CA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -63.19 -41.78 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -58.9 -44.81 91.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.18 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 9.5 mt -79.74 -46.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -65.04 -30.03 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.3 tt0 -65.15 -9.75 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.2 mt -82.02 -76.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 167.82 39.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.37 166.75 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.2 tp60 -90.46 91.76 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -106.7 140.27 39.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.43 ' CA ' ' SG ' ' A' ' 55' ' ' CYS . 2.8 pt-20 -154.5 143.75 21.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.505 ' CG1' ' OE1' ' A' ' 2' ' ' GLN . 88.4 t -64.2 132.88 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.486 HD13 ' CA ' ' A' ' 5' ' ' SER . 57.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.508 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 13.3 pt-20 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.3 138.36 53.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -93.73 133.74 36.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 77.6 t -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.19 48.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.71 27.09 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.469 ' CE ' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -75.37 157.68 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -109.65 -29.91 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 7.2 t 83.04 133.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.7 m-20 81.09 95.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.523 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER 89.4 -29.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 10' ' ' SER . 18.8 m -63.93 -58.59 6.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.33 -48.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.53 -53.9 35.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -44.65 -48.72 10.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.0 mt -63.73 -59.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -53.74 21.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.41 97.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -53.92 -38.43 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.9 t -75.34 -50.72 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.13 -23.5 17.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -17.11 60.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.3 mm -68.78 114.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -64.93 96.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.68 -16.72 2.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.8 134.15 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -96.27 -46.47 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -135.79 156.67 48.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 32' ' ' LYS . 2.9 p -155.17 143.5 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' HG22 ' A' ' 31' ' ' VAL . 4.4 ttmm -150.06 166.14 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.2 t -155.22 133.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.7 mp0 -115.81 120.04 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD22 ' CE ' ' A' ' 9' ' ' MET . 1.0 OUTLIER -67.21 -47.73 70.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.1 42.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -146.79 -36.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.9 mt-10 72.52 19.66 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -135.74 157.59 46.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.64 138.28 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.28 138.99 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 43' ' ' LYS . 39.7 t -143.87 153.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.444 ' N ' HG11 ' A' ' 42' ' ' VAL . 2.7 tttp -131.08 95.31 3.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.5 p90 -130.02 177.56 7.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.94 131.88 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.64 -24.4 56.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 12.08 10.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.64 -51.2 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.8 t -134.74 149.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -108.97 145.79 34.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.444 ' HB1' ' CE1' ' A' ' 4' ' ' PHE . . . -56.26 -45.23 80.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.67 -41.19 42.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -43.08 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -43.0 99.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -38.91 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.79 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 mt -68.7 -55.07 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -60.97 -28.48 69.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.13 -12.27 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.5 mt -83.75 -76.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.72 38.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.03 177.71 8.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 0.717 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.15 133.41 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.06 153.76 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -155.07 134.26 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.1 t -69.1 137.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -134.05 153.9 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.535 ' CD2' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -127.76 129.07 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -85.1 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 45.2 t -104.42 137.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -139.58 44.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.74 25.39 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.28 146.81 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -110.23 -37.84 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.5 t 88.64 156.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.32 78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 89.61 -16.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.9 m -65.88 -58.9 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG11 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -42.45 -48.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -54.98 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.51 -43.98 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.0 mt -67.3 -62.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.33 -49.2 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -65.3 -45.42 84.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.76 -44.0 85.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' A' ' 31' ' ' VAL . 25.1 t -74.1 -40.87 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.95 -13.16 46.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -85.93 -12.85 49.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.74 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' A' ' 49' ' ' VAL . 31.4 mm -67.92 122.27 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -65.38 107.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.63 -21.11 4.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.408 HG11 ' CG2' ' A' ' 42' ' ' VAL . 48.6 t -82.09 121.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 1.9 tttm -85.48 -54.37 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 10.1 mmtt -131.57 151.94 51.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.474 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.1 p -156.54 148.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -155.86 164.43 38.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' HG11 ' A' ' 15' ' ' VAL . 4.5 p -138.05 141.05 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 15.5 mm-40 -118.58 121.34 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.24 -46.66 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.27 41.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.8 tttt -146.29 -39.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.0 mt-10 70.98 29.25 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' CG ' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -155.2 138.92 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.06 136.85 40.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 t -103.8 129.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.529 HG12 ' CE1' ' A' ' 44' ' ' PHE . 12.2 p -120.32 153.34 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' LYS . 7.0 tttm -126.76 67.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' CE1' HG12 ' A' ' 42' ' ' VAL . 29.4 p90 -113.86 -162.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' VAL . 9.9 t0 -142.92 142.58 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -73.38 -8.34 55.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 5.17 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.27 -53.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.52 HG11 ' CD2' ' A' ' 44' ' ' PHE . 9.1 p -138.27 150.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.88 143.71 34.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.57 -42.77 34.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -37.56 86.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.18 -38.74 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.18 -41.94 85.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.86 -42.61 99.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 25' ' ' ILE . . . -61.39 -39.44 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.466 HG23 ' CB ' ' A' ' 65' ' ' ALA . 11.5 mt -67.52 -50.4 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.42 -27.46 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 mm-40 -65.19 -9.97 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.9 mt -81.29 -76.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.72 39.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.96 -176.52 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.29 118.25 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 58' ' ' ILE . . . -133.61 149.41 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' SER . 8.5 mm-40 -154.97 131.13 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.535 HG23 ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -68.97 123.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 68' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.562 ' NE2' ' CG1' ' A' ' 67' ' ' VAL . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.533 ' N ' ' HG3' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -130.49 153.52 48.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.576 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -128.59 147.43 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -100.19 128.67 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.433 HG11 ' N ' ' A' ' 7' ' ' LYS . 29.1 t -103.68 143.62 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' N ' HG11 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -143.86 42.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.87 23.19 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.473 ' SD ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.06 153.06 39.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 0.789 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 57.0 m -112.48 -22.81 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.7 OUTLIER 86.66 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.33 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.5 m120 78.77 -67.18 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -157.51 25.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.3 m -66.39 -56.12 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.344 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 t -41.74 -49.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.43 -49.99 67.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.65 -47.42 70.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.481 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 48.6 mt -68.05 -52.17 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -52.68 -53.5 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -64.27 -44.74 90.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -58.51 -42.96 88.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 60.5 t -67.03 -54.56 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.82 -19.92 3.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -13.75 60.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 16.3 mt -68.18 117.61 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.8 t -64.8 108.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.06 -20.19 4.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.52 125.95 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -49.7 7.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -135.52 159.56 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG23 ' CG1' ' A' ' 22' ' ' VAL . 5.0 p -155.59 152.0 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.58 167.86 29.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 78.1 t -155.23 141.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 17.5 mp0 -124.24 117.5 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD2' ' SD ' ' A' ' 9' ' ' MET . 1.6 tm? -66.63 -45.17 79.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.63 41.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -145.52 -43.58 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 37' ' ' LYS . 2.0 mt-10 79.09 28.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.99 140.24 21.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -104.92 138.47 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 t -104.77 133.46 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.582 HG13 ' CD1' ' A' ' 44' ' ' PHE . 98.1 t -137.38 144.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.445 ' N ' HG11 ' A' ' 42' ' ' VAL . 1.3 ttpp -124.94 95.95 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CZ ' ' CD1' ' A' ' 54' ' ' ILE . 2.4 p90 -135.22 178.5 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 49' ' ' VAL . 62.4 t0 -95.72 124.87 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.22 -5.32 46.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.54 -32.53 28.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -107.33 -70.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 45' ' ' ASP . 36.6 t -88.7 154.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.78 156.44 43.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' CB ' ' OE1' ' A' ' 2' ' ' GLN . . . -56.88 -37.16 70.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.77 -45.86 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.584 ' CD1' ' CZ ' ' A' ' 44' ' ' PHE . 18.0 mt -65.57 -39.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.25 83.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.65 -50.41 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.93 -32.78 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.2 mt -73.49 -65.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -52.79 -26.99 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.1 tt0 -65.0 -11.53 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.5 mt -84.06 -76.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.22 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.71 -173.37 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -106.59 134.74 49.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.22 133.33 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 mt-10 -125.79 142.07 51.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.562 ' CG1' ' NE2' ' A' ' 2' ' ' GLN . 98.6 t -76.14 119.58 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 67' ' ' VAL . 1.5 mp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 15.2 pt-20 -105.23 164.75 11.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CE2' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -133.88 129.97 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' GLU . 3.3 t -79.51 128.43 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 t -107.35 116.43 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -113.03 49.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.43 24.82 0.22 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.38 158.23 33.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 11.8 m -113.25 -23.18 10.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 10' ' ' SER . 18.7 t 68.47 67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.522 ' OD1' ' CB ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -166.65 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -122.21 -1.43 9.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.569 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' VAL . 17.5 m -66.77 -59.34 3.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.463 HG11 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -36.88 -50.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.24 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -44.91 -45.54 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.42 -58.77 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.42 -43.83 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.53 -47.72 74.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.77 -56.24 14.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.475 ' CG1' HG21 ' A' ' 31' ' ' VAL . 68.0 t -54.35 -33.44 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' CA ' HG12 ' A' ' 31' ' ' VAL . . . -75.51 -19.54 79.23 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -9.7 58.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.0 113.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -65.16 96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.51 -13.25 2.73 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 t -85.46 124.14 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -49.86 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -132.38 148.24 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG21 ' CG1' ' A' ' 22' ' ' VAL . 1.5 p -155.49 140.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 164.25 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.463 ' CG1' HG11 ' A' ' 15' ' ' VAL . 4.8 p -138.93 142.74 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.19 106.93 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 38.3 tp -63.01 155.75 26.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt 63.39 9.87 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -117.5 -34.91 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 5.5 mt-10 68.85 35.47 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -144.09 144.58 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.35 131.62 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.06 145.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.532 HG23 ' CE2' ' A' ' 4' ' ' PHE . 72.7 t -143.19 140.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' N ' HG11 ' A' ' 42' ' ' VAL . 19.3 tttt -124.71 86.13 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.443 ' CD1' HG13 ' A' ' 42' ' ' VAL . 15.8 p90 -122.08 -179.83 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -96.61 131.27 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.44 -23.13 56.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 14.08 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.22 -52.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.61 158.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -116.06 144.12 44.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.75 -43.66 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.83 -40.67 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -45.43 84.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 4' ' ' PHE . 84.9 mt -58.89 -37.59 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.1 -41.35 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 5.1 tp60 -65.51 -42.64 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -21.64 66.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 55' ' ' CYS . 29.5 mt -76.33 -63.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.492 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 5.0 p30 -65.36 -28.55 69.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.3 mm-40 -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 10.6 mt -77.7 -74.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 178.72 35.98 0.06 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.22 -171.0 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -105.16 154.56 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.28 141.0 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.5 OUTLIER -143.18 114.96 8.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 70.8 t -64.9 130.87 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 7.6 pt-20 -105.95 157.72 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -136.39 131.62 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 65' ' ' ALA . 2.2 t -78.97 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 86.2 t -146.77 141.59 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' N ' HG11 ' A' ' 6' ' ' VAL . 3.2 mtpt -155.12 48.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.03 26.6 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.78 144.79 41.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 28.0 m -116.69 -32.45 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 92.07 -147.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.9 m-80 66.35 33.12 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 90.07 16.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.605 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m -66.63 -52.88 40.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 35' ' ' LEU . 3.0 t -39.86 -49.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -43.38 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 mt -69.93 -60.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -45.51 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.52 -53.24 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.25 83.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.436 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 50.3 t -55.44 -39.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.14 -11.43 32.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -81.92 -7.65 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CG2' HG12 ' A' ' 49' ' ' VAL . 18.8 mt -65.33 114.12 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 6.1 t -65.16 96.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.02 -7.01 4.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.613 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -83.56 136.4 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -45.72 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -137.32 156.48 48.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.09 145.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.16 169.53 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 t -151.91 154.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 10.8 mt-30 -136.04 104.95 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 1.3 tt -67.68 -45.37 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 39.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 2.6 tttt -147.46 -43.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 3.4 mt-10 84.83 34.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HE2' ' CE ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -154.3 171.29 19.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -140.49 150.35 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.9 t -122.17 139.27 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.613 ' CG1' ' CG2' ' A' ' 28' ' ' VAL . 76.8 t -143.72 142.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -114.68 99.78 7.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -129.7 -161.82 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' VAL . 20.1 t0 -141.06 140.37 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -13.64 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.72 8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -52.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG12 ' CG2' ' A' ' 25' ' ' ILE . 25.6 t -145.66 156.76 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -106.2 147.51 28.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.45 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -42.6 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -39.3 90.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 4' ' ' PHE . 87.6 mt -58.4 -36.46 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -61.71 -42.39 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.292 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tm0? -59.7 -39.19 83.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.36 -29.67 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 10.8 mt -78.43 -53.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.87 -25.67 68.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -65.3 -9.96 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.7 mt -84.71 -78.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.498 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -145.25 -179.53 6.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 3.8 tt0 -106.59 132.2 52.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 5' ' ' SER . . . -145.35 128.26 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 5' ' ' SER . 13.9 mm-40 -115.25 117.97 31.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.456 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -65.64 131.74 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.449 ' C ' HG12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -132.49 166.54 21.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -146.06 126.0 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.433 ' N ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -85.13 127.96 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 92.9 t -99.16 125.56 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -122.38 44.8 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.78 24.9 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.442 ' SD ' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -73.55 161.46 30.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.607 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 70.3 m -115.07 -25.45 8.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.607 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.6 t 96.57 -16.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER -74.12 -141.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.26 22.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' A' ' 12' ' ' ASN . 10.3 m -66.53 -55.14 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 33' ' ' VAL . 2.8 t -42.26 -48.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.64 86.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -37.93 64.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.464 ' CG2' HG12 ' A' ' 58' ' ' ILE . 49.2 mt -75.09 -60.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -44.86 -50.58 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.28 -53.32 45.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.6 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 31' ' ' VAL . 97.4 t -75.55 -49.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -12.7 28.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -77.12 -18.7 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.458 ' CG2' HG12 ' A' ' 49' ' ' VAL . 13.2 mt -69.14 117.26 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -65.51 92.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.4 -19.7 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.459 HG21 ' CG1' ' A' ' 42' ' ' VAL . 2.7 t -79.44 123.56 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -51.11 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.07 156.02 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 22' ' ' VAL . 3.9 p -155.29 150.71 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.1 tptt -155.75 165.78 35.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.458 HG12 ' CG2' ' A' ' 15' ' ' VAL . 13.2 t -140.19 151.36 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.13 106.27 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 15.0 tp -65.11 162.03 17.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 57.99 15.98 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 6.8 tttt -121.13 -37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 70.7 36.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -150.71 145.92 26.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.81 145.2 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 8.5 p -109.63 147.77 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG1' HG21 ' A' ' 28' ' ' VAL . 76.4 t -145.66 149.67 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' N ' HG11 ' A' ' 42' ' ' VAL . 21.1 ttmt -123.51 69.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.5 ' CD2' HD13 ' A' ' 54' ' ' ILE . 48.8 p90 -99.28 -168.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 49' ' ' VAL . 24.0 t0 -142.41 139.39 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG2' ' A' ' 50' ' ' GLN . 1.5 tt0 -70.14 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.81 5.45 24.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.25 -55.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 25.0 t -146.63 162.88 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.9 mt-30 -113.92 158.62 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HA ' ' CD1' ' A' ' 54' ' ' ILE . . . -56.3 -38.42 71.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.3 t -52.71 -45.56 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -65.98 -39.15 90.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.5 HD13 ' CD2' ' A' ' 44' ' ' PHE . 7.6 mt -62.8 -37.0 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -42.49 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.27 -47.68 78.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.66 -35.78 22.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.47 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 26.3 mt -70.78 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -51.3 -26.56 7.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLN . 18.2 tt0 -65.3 -10.08 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.0 mt -88.55 -78.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.25 39.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.1 -172.66 3.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.26 141.22 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -145.53 137.71 25.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -148.62 128.19 13.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.6 t -67.2 155.01 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.457 ' N ' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 11.8 pt-20 -106.35 160.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 1.3 m-85 -138.07 131.65 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.0 t -78.23 132.82 37.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.478 HG13 ' CE ' ' A' ' 9' ' ' MET . 23.3 t -86.35 143.78 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 64' ' ' GLN . 11.3 mttt -155.77 155.04 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.34 7.22 24.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.478 ' CE ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -71.57 157.02 38.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 3.4 m -114.01 -29.53 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.509 ' SG ' ' CD2' ' A' ' 35' ' ' LEU . 5.7 t 88.56 -5.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.12 72.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 68.13 8.65 6.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 m -66.77 -58.44 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 HG11 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.6 -51.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -55.52 15.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -45.12 -43.72 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.1 mt -66.44 -64.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 2.5 tt0 -49.03 -32.98 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -60.55 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.14 87.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 31' ' ' VAL . 56.0 t -54.56 -32.66 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.37 -18.89 72.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.85 -5.94 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 110.228 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.96 113.91 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -64.85 95.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.85 -13.57 2.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.1 132.64 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.249 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -46.29 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -141.17 156.16 45.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' ' 22' ' ' VAL . 2.5 p -145.46 144.75 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.7 tptt -152.65 163.97 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG1' HG11 ' A' ' 15' ' ' VAL . 13.3 t -155.77 124.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 35.9 mm-40 -112.81 119.96 39.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.509 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 32.8 tp -67.46 -47.1 71.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 42.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 12.9 tttt -145.62 -37.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 70.98 31.07 2.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.01 143.31 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.05 140.6 38.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' LYS . 1.5 t -109.53 123.35 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.593 HG13 ' CD1' ' A' ' 44' ' ' PHE . 74.6 t -135.83 137.89 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -115.43 100.35 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -131.27 169.23 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.1 -22.49 58.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.78 14.91 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.44 -56.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.2 t -134.56 160.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 17.1 mm-40 -108.39 142.7 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.12 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.17 -42.95 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -32.96 74.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.72 -38.64 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.426 ' SG ' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -65.18 -43.12 92.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.252 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -36.29 76.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -27.04 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 5.4 mt -78.32 -51.89 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -60.05 -28.58 67.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -9.85 25.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.1 mt -89.72 -77.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.23 39.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -142.34 -164.26 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -133.2 109.73 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -111.61 117.3 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -97.3 141.93 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.426 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 88.5 t -86.38 137.35 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.465 ' CG1' ' HG3' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.12 161.01 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -131.86 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.48 ' HB2' ' CD1' ' A' ' 68' ' ' ILE . 1.7 t -95.08 130.89 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 92.1 t -106.1 126.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -122.36 51.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.28 26.63 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.477 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -71.0 148.09 47.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 2.3 m -122.1 -39.43 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.7 t 93.08 170.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m-20 80.48 66.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 74.91 5.95 4.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 22.3 m -66.15 -54.82 20.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -46.2 -49.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.0 -47.66 76.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -43.69 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 22' ' ' VAL . 34.7 mt -74.27 -63.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.98 -35.36 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -62.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.29 89.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.447 HG13 ' CG2' ' A' ' 31' ' ' VAL . 97.9 t -61.0 -32.54 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.471 ' CA ' HG12 ' A' ' 31' ' ' VAL . . . -80.91 -20.88 64.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 24' ' ' ARG . 21.3 ttp180 -84.03 -5.56 59.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' A' ' 49' ' ' VAL . 35.6 mm -64.56 118.29 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -64.47 101.04 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.49 -16.41 3.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -85.75 124.44 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.241 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -84.87 -49.43 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -134.26 151.52 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' CA ' ' A' ' 23' ' ' GLY . 2.6 p -147.43 149.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 6.7 tttp -155.54 165.57 36.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.476 HG22 ' CB ' ' A' ' 40' ' ' ALA . 56.9 t -155.67 144.52 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 16.5 mp0 -127.54 118.46 24.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.477 HD13 ' CE ' ' A' ' 9' ' ' MET . 7.9 tt -67.11 -49.52 64.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.63 43.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.4 tttm -146.95 -37.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 4.1 mt-10 71.17 33.43 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -154.08 152.79 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -124.36 146.56 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.0 t -116.77 148.92 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 54' ' ' ILE . 75.7 t -145.19 143.65 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' N ' HG11 ' A' ' 42' ' ' VAL . 31.5 tttm -118.92 75.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CD2' HG11 ' A' ' 49' ' ' VAL . 27.5 p90 -117.58 -165.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.479 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 26.9 t0 -142.39 139.49 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.1 OUTLIER -69.05 -6.88 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.6 -15.05 50.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -120.47 -54.71 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 44' ' ' PHE . 8.1 p -136.39 151.92 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -104.38 144.35 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.63 80.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -39.1 52.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -42.6 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.487 ' CD1' HG13 ' A' ' 42' ' ' VAL . 34.9 mt -60.17 -39.77 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -42.55 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 5.2 tp60 -62.2 -44.45 96.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.42 -41.93 69.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 32.7 mt -62.4 -54.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -63.6 -24.33 67.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLN . 27.4 tt0 -65.11 -10.36 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.7 mt -88.38 -76.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.98 37.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.33 -172.68 3.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.67 143.49 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.93 141.29 27.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' SER . 3.4 mt-10 -155.38 132.28 10.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.97 127.3 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 5' ' ' SER . 98.4 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.1 pm0 -96.77 172.85 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.14 130.13 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -84.24 134.85 34.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 21.8 t -110.15 122.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -121.42 45.97 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 25.13 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.463 ' CE ' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.02 140.54 43.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 6.2 m -113.66 -22.97 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 88.99 -146.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER 71.04 -68.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -157.93 24.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.8 m -67.02 -56.87 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.479 ' CG2' HG12 ' A' ' 33' ' ' VAL . 2.8 t -40.1 -49.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.33 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.381 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -55.37 -46.82 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -65.59 -53.17 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -55.97 -51.14 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -39.91 92.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -61.48 -49.93 74.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.48 ' CG1' HG23 ' A' ' 31' ' ' VAL . 61.8 t -68.77 -31.61 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.57 -7.41 61.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -13.75 28.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.8 mm -67.4 117.57 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -65.15 102.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -20.6 3.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -76.27 132.58 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -45.16 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -144.89 141.84 29.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG23 ' CG1' ' A' ' 22' ' ' VAL . 1.8 p -147.06 142.62 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' N ' HG22 ' A' ' 31' ' ' VAL . 7.8 tttp -155.53 163.6 39.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 15' ' ' VAL . 4.4 p -142.45 153.59 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.1 mm-40 -126.83 124.12 38.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD1' ' CE ' ' A' ' 9' ' ' MET . 40.1 tp -66.91 -49.14 66.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.37 43.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.1 tttt -147.06 -38.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.4 mt-10 70.96 30.5 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.48 158.22 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.44 148.15 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -115.77 144.66 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.475 HG21 ' CG2' ' A' ' 31' ' ' VAL . 94.7 t -145.14 156.46 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' HG11 ' A' ' 42' ' ' VAL . 19.6 tttt -133.52 73.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 49' ' ' VAL . 23.9 p90 -104.19 -179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -96.48 123.21 40.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 2.5 tt0 -79.09 -5.3 53.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.55 -1.89 57.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.9 -69.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 44' ' ' PHE . 10.3 p -95.41 152.84 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.45 155.69 38.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' CZ ' ' A' ' 44' ' ' PHE . . . -57.65 -35.69 70.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -39.04 62.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -42.22 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.498 HD11 ' CE2' ' A' ' 44' ' ' PHE . 96.6 mt -61.54 -38.69 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.24 -44.68 95.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.02 71.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.446 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 8.6 mt -66.43 -51.55 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -65.42 -23.5 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -65.1 -10.32 29.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.526 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 13.7 mt -88.89 -76.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.57 39.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.02 -171.04 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.15 140.13 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -145.77 124.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -127.89 147.52 50.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 70.1 t -85.92 148.96 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.504 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 12.5 pt-20 -105.61 167.75 9.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -139.19 128.54 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -84.41 126.72 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.468 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 15.3 t -101.7 133.19 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -136.04 44.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.31 23.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.482 ' SD ' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.34 140.82 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 36.3 m -113.59 -19.88 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.9 t 89.4 -142.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 66.1 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' CYS . 1.2 t60 -149.2 20.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' VAL . 46.7 m -66.05 -60.51 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.263 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.9 t -39.76 -49.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.38 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -45.41 -42.84 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -70.94 -59.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -48.68 -48.61 39.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -51.06 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -33.63 69.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.404 ' CG1' HG21 ' A' ' 31' ' ' VAL . 41.7 t -74.96 -40.59 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.43 -10.6 70.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -13.95 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.3 120.95 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -64.63 103.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -8.58 4.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 44' ' ' PHE . 22.1 t -94.42 125.77 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -49.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 155.28 50.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.404 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.2 p -153.99 151.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HE3' ' NE2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -155.67 168.02 28.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -151.39 134.21 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.42 ' NE2' ' HE3' ' A' ' 32' ' ' LYS . 7.2 mm-40 -107.52 102.36 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 60.0 tp -60.04 158.29 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt 59.39 14.73 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -118.02 -33.89 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 6' ' ' VAL . 23.5 mt-10 68.59 35.6 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -148.31 145.48 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.33 149.26 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.01 132.22 68.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.483 HG13 ' CZ ' ' A' ' 4' ' ' PHE . 10.7 p -124.4 152.8 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.34 63.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -108.66 -171.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -98.8 125.13 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 2.0 tp10 -77.34 -26.15 51.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 17.32 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.03 -44.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.584 HG11 ' CD2' ' A' ' 44' ' ' PHE . 11.7 p -133.3 154.88 40.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.47 141.65 36.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.24 84.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.42 -36.13 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.27 86.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.41 ' CD1' HG23 ' A' ' 42' ' ' VAL . 20.6 mt -60.59 -38.32 77.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -40.53 81.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.44 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -63.88 -55.12 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.87 -20.8 54.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.476 HG23 ' CB ' ' A' ' 65' ' ' ALA . 18.9 mt -76.04 -62.02 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.486 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.6 p30 -65.87 -29.19 69.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 64.7 tt0 -48.71 -21.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.5 mt -74.85 -71.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.37 38.28 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.41 179.04 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.66 139.82 39.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.476 ' CB ' HG23 ' A' ' 58' ' ' ILE . . . -145.91 123.82 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.4 mt-10 -115.82 119.21 35.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 4' ' ' PHE . 2.2 t -66.13 135.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.404 ' NE2' ' C ' ' A' ' 68' ' ' ILE . 3.9 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 68' ' ' ILE . 14.6 pt-20 -106.2 168.71 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -145.32 132.85 20.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -85.33 130.33 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 43.4 t -103.93 124.65 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -125.59 44.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.13 22.67 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.404 ' HE3' ' CG2' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -76.05 156.73 33.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 13.0 m -117.58 -36.33 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 10' ' ' SER . 6.4 t 84.36 75.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.16 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.86 5.57 4.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.3 m -66.84 -57.47 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.493 ' CG1' ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.5 -49.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.13 -61.42 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.53 -42.69 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -70.54 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.8 -47.11 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -49.35 70.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.47 -44.03 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' A' ' 42' ' ' VAL . 48.5 t -69.94 -48.24 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.62 -10.53 37.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.0 tpt85 -88.33 -13.01 41.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 28' ' ' VAL . 36.3 mm -64.28 123.32 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -65.23 113.35 3.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.18 -10.33 10.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' CG2' ' HB ' ' A' ' 25' ' ' ILE . 58.0 t -87.1 129.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -37.0 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -166.16 167.37 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.493 ' CG2' HG21 ' A' ' 42' ' ' VAL . 2.6 p -157.26 159.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.46 164.17 39.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.493 ' CG1' ' CG1' ' A' ' 15' ' ' VAL . 4.8 p -135.34 152.31 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -111.16 97.27 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 36' ' ' LYS . 2.7 tm? -65.72 159.17 25.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 12.3 tttp 49.93 22.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.2 mt-10 74.29 53.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.523 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -147.34 161.56 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.2 136.58 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -127.75 141.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.579 HG13 ' CD2' ' A' ' 44' ' ' PHE . 95.9 t -132.84 158.72 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.95 86.14 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CD2' HG13 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -127.29 177.22 6.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.97 128.17 42.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.4 -22.99 62.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.65 16.95 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.31 -47.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.6 p -134.13 167.96 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -124.77 145.75 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.39 -41.98 77.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.59 -29.73 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -44.33 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.571 HD13 ' CE2' ' A' ' 44' ' ' PHE . 3.3 mp -61.31 -39.31 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' SG ' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -56.37 -42.6 78.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.06 -44.19 97.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -33.63 71.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 17.3 mt -71.91 -60.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.1 -29.6 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.33 -10.37 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.89 -79.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 168.23 38.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -145.37 -173.57 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.79 136.98 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -139.1 118.21 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.4 mt-10 -110.33 126.84 54.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.434 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 87.2 t -75.01 137.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.4 ' OE1' ' CG1' ' A' ' 67' ' ' VAL . 2.5 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.418 ' C ' HG13 ' A' ' 68' ' ' ILE . 6.2 pt-20 -106.28 166.0 10.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -145.89 124.28 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -87.87 130.02 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 64' ' ' GLN . 5.7 t -107.77 133.31 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -128.57 44.86 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.77 23.9 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.2 151.17 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 p -121.19 -39.22 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.945 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.9 t 89.39 160.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.299 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.59 76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.3 t-80 89.8 -19.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' VAL . 9.1 m -65.26 -60.9 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.481 ' CG1' HG12 ' A' ' 33' ' ' VAL . 2.7 t -38.69 -50.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.26 -54.54 23.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -44.66 -39.68 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.4 -64.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.67 -47.85 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.23 -51.21 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.07 -38.9 71.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 31' ' ' VAL . 16.9 t -74.73 -41.36 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.99 60.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 5.0 ttm-85 -90.75 -13.23 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CG2' HG12 ' A' ' 49' ' ' VAL . 32.8 mm -66.04 118.5 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 29.3 t -65.37 95.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.98 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.74 -16.12 1.79 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG1' HG12 ' A' ' 42' ' ' VAL . 42.6 t -85.57 128.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -48.03 9.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -136.68 156.35 48.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 22' ' ' VAL . 2.5 p -144.92 149.91 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.68 164.49 38.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.481 HG12 ' CG1' ' A' ' 15' ' ' VAL . 5.4 p -133.64 151.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.5 90.27 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' C ' ' N ' ' A' ' 37' ' ' LYS . 12.8 tp -65.61 170.29 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 pttp 42.19 28.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 1.7 tttt -144.11 -38.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.1 mt-10 74.02 54.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -146.78 147.71 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -124.72 142.62 51.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.1 t -118.89 141.82 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 22' ' ' VAL . 77.2 t -145.79 152.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' N ' HG11 ' A' ' 42' ' ' VAL . 5.5 tttp -127.33 67.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.477 ' CD2' ' N ' ' A' ' 45' ' ' ASP . 24.3 p90 -109.69 -164.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.477 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 4.3 t70 -143.34 143.45 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -70.75 -6.79 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.33 -17.96 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.499 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -111.48 -55.77 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG12 ' CG2' ' A' ' 25' ' ' ILE . 25.2 t -143.72 159.67 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.1 mt-30 -101.96 145.03 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.88 -45.08 78.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -37.21 57.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -43.79 92.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.11 -37.46 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.416 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -63.3 -40.28 96.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.452 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -60.09 -57.65 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.51 52.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.481 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 7.5 mt -74.19 -60.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.477 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.5 p30 -66.27 -30.3 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 9.3 tt0 -50.04 -20.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.2 mt -73.93 -70.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.18 37.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.67 179.29 7.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.478 ' O ' ' CG1' ' A' ' 6' ' ' VAL . 0.7 OUTLIER -105.72 141.9 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.481 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -147.5 150.15 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.0 pt-20 -153.55 126.05 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.4 ' CG1' ' OE1' ' A' ' 2' ' ' GLN . 89.7 t -68.94 148.38 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.418 HG13 ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.5 pt-20 -132.51 166.42 22.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.27 133.69 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.2 t -87.53 131.68 34.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 42.9 t -107.75 131.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -134.11 48.99 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 27.4 0.18 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.62 149.78 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -121.41 -40.24 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.6 t 89.19 173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER 74.08 69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.2 t60 89.81 -12.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.568 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -65.7 -57.25 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 t -42.69 -48.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.51 -57.35 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -44.23 -45.13 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.21 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.68 -49.73 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -65.1 -48.22 74.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.78 -46.23 81.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 42' ' ' VAL . 53.4 t -70.35 -32.17 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.47 ' CA ' HG12 ' A' ' 31' ' ' VAL . . . -76.64 -23.08 70.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -76.56 -5.52 48.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.437 ' CG2' HG12 ' A' ' 54' ' ' ILE . 37.5 mm -68.27 119.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -64.87 103.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.92 -5.0 5.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.4 t -94.0 142.74 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.31 -39.74 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -140.21 148.25 41.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 HG12 ' CA ' ' A' ' 23' ' ' GLY . 1.6 p -154.83 145.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 30.3 tttt -155.39 164.92 38.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 p -134.37 156.92 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 30.5 mm-40 -130.35 103.41 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.8 161.26 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp 54.03 18.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 34' ' ' GLN . 7.9 tttt -122.33 -36.24 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 72.2 mt-10 69.44 42.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.4 146.85 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.5 143.1 51.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 11.0 p -107.56 143.47 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.497 ' CG1' ' CD2' ' A' ' 44' ' ' PHE . 73.4 t -145.71 146.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.54 96.78 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.505 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -129.9 -179.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -95.38 131.67 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.59 -23.41 60.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.5 17.01 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -46.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.505 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.4 p -133.7 166.39 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -104.37 -101.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.92 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.433 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.37 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -43.23 87.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.451 HD11 ' CD2' ' A' ' 44' ' ' PHE . 34.7 mt -59.44 -40.35 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -56.26 -41.38 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -32.19 57.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.4 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 1.9 mp -64.8 -58.6 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.563 ' C ' ' H ' ' A' ' 61' ' ' LEU . 12.4 m-20 -54.15 -25.87 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.66 31.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 3.8 mt -141.38 -75.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.02 39.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.1 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.13 143.55 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.93 131.13 18.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.3 OUTLIER -124.87 121.81 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 52' ' ' THR . 98.1 t -67.29 140.25 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.5 pt-20 -106.06 149.55 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.538 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -134.64 131.45 37.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.0 t -82.95 125.95 31.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.442 ' CG1' ' HE2' ' A' ' 9' ' ' MET . 5.1 p -103.17 118.48 50.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.506 ' CB ' ' HB2' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -123.73 -172.87 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.05 16.53 6.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.473 ' HG2' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -75.3 146.11 41.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 14.1 m -88.72 -39.91 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.4 t 96.34 61.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.03 -81.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.633 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 16.3 t60 -124.91 15.46 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 9' ' ' MET . 8.6 m -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.463 HG22 ' CE ' ' A' ' 9' ' ' MET . 2.8 t -37.48 -51.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.17 83.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -54.71 -47.71 73.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.569 HD11 ' CD2' ' A' ' 63' ' ' TYR . 3.3 mm -63.89 -56.07 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 1.1 tm-20 -53.14 -50.94 63.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.85 -46.11 79.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -54.14 -30.73 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.487 ' CG1' HG23 ' A' ' 31' ' ' VAL . 65.0 t -73.21 -38.72 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.63 -9.43 38.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -87.01 -23.88 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 10.2 mt -68.24 114.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -64.59 99.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.31 -12.48 3.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -82.83 132.04 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.45 -48.94 3.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -126.2 151.43 47.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 32' ' ' LYS . 3.5 p -155.79 144.42 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -155.45 161.75 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.474 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 85.5 t -150.98 148.71 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' HG3' ' NZ ' ' A' ' 32' ' ' LYS . 6.3 mt-30 -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 13.0 tp -65.66 164.97 13.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 54.63 18.59 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -41.83 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' C ' ' HG2' ' A' ' 39' ' ' LYS . 20.0 mt-10 76.4 30.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -140.69 138.7 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.9 149.18 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -122.64 135.75 61.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' A' ' 22' ' ' VAL . 65.6 t -134.9 153.02 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -131.85 98.43 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' A' ' 54' ' ' ILE . 3.2 p90 -133.88 -179.59 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -96.05 132.18 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.41 -23.24 57.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.44 13.38 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 -52.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -134.42 155.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -114.08 147.22 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.69 -41.49 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.7 t -54.01 -45.55 71.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.99 -38.32 88.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' A' ' 44' ' ' PHE . 97.0 mt -62.38 -38.37 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.419 ' SG ' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -64.84 -42.87 94.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.95 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.48 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 16.0 mm -79.62 -45.51 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -65.01 -31.42 72.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -10.46 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.7 mt -80.49 -75.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 164.97 42.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' HD11 ' A' ' 18' ' ' ILE . 1.4 m-85 -145.05 -177.01 5.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.506 ' HB2' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -105.31 97.23 7.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -102.46 120.46 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.1 mm-40 -114.14 139.59 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 88.0 t -85.69 129.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mm100 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 15.6 pt-20 -86.37 146.32 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -127.74 129.31 46.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -85.33 131.06 34.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 20.4 t -107.42 135.8 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -134.07 45.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.16 24.64 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 152.11 38.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.8 m -118.83 -36.36 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 10' ' ' SER . 5.4 t 88.14 52.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.479 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.6 m-20 -145.37 56.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.496 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 85.1 7.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m -65.92 -59.98 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -40.37 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.45 65.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.443 ' CG2' HG12 ' A' ' 58' ' ' ILE . 55.8 mt -73.43 -63.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -48.98 -39.08 25.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -53.75 38.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -51.71 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.9 t -54.65 -35.6 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.36 -14.59 82.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -87.9 -12.92 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.82 121.05 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -65.59 99.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.12 -12.36 3.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' HA ' ' CB ' ' A' ' 44' ' ' PHE . 30.7 t -91.7 134.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 4.7 tttt -99.22 -47.81 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 5.0 mmmt -131.34 156.56 45.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 p -155.29 151.22 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.72 166.82 32.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' A' ' 40' ' ' ALA . 76.8 t -153.33 141.72 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 6.8 mm-40 -119.78 120.33 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 15.0 tp -67.12 -46.53 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -85.06 42.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -145.96 -39.04 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.8 mt-10 70.64 29.98 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -153.26 137.54 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.477 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -105.44 152.35 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.43 147.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG2' HG21 ' A' ' 28' ' ' VAL . 11.6 p -133.77 152.65 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -129.32 65.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -115.2 -176.87 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -21.05 54.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.18 8.67 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.46 -46.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 50' ' ' GLN . 60.6 t -135.57 166.69 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 49' ' ' VAL . 4.2 mm100 -117.61 141.74 48.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.69 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.64 -39.04 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.99 92.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.417 HG23 ' CE2' ' A' ' 4' ' ' PHE . 73.4 mt -62.58 -38.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -42.14 97.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 108.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -58.29 -40.04 80.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.64 -34.81 74.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.473 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 5.8 mt -72.04 -49.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -65.05 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -14.84 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.8 mt -78.64 -72.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.12 39.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.93 -173.94 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.7 tp60 -105.82 129.95 53.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.473 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -146.05 127.53 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -126.2 150.85 48.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.471 ' C ' ' CD1' ' A' ' 68' ' ' ILE . 87.9 t -84.92 122.58 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.471 ' CD1' ' C ' ' A' ' 67' ' ' VAL . 1.8 mp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.48 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 pt-20 -93.79 152.0 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 1.3 m-85 -137.24 128.5 27.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.5 t -82.52 130.62 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 11.1 t -110.82 123.07 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -122.65 48.34 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.85 24.4 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.95 151.14 37.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.4 -0.35 6.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.972 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 57.68 -152.31 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.49 ' N ' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER 67.54 -71.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -142.09 9.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.6 m -68.46 -59.24 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.0 t -36.98 -50.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.0 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -45.51 -40.88 9.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.443 ' CG2' HD11 ' A' ' 58' ' ' ILE . 59.8 mt -72.93 -61.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.55 -50.41 23.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.29 -49.0 73.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -55.51 -39.53 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.477 ' CG2' HD11 ' A' ' 58' ' ' ILE . 78.8 t -73.29 -31.56 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.483 ' HA2' ' CG1' ' A' ' 28' ' ' VAL . . . -81.49 6.61 64.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.31 -16.67 23.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.576 ' CD1' ' CG2' ' A' ' 54' ' ' ILE . 12.9 mt -64.27 124.12 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -65.49 94.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.44 -15.74 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 ' CG1' ' HA2' ' A' ' 23' ' ' GLY . 1.2 p -77.54 142.49 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HG2' ' CG ' ' A' ' 30' ' ' LYS . 24.4 tttp -111.85 -46.76 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 29' ' ' LYS . 1.7 mttp -135.3 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -156.39 146.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -154.73 165.29 37.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -139.76 144.41 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.79 97.06 6.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 29.8 tp -61.01 163.72 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.79 19.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -128.07 -45.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 39' ' ' LYS . 13.5 mt-10 81.64 43.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.257 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.04 153.57 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.59 140.04 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -112.24 152.06 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.591 HG13 ' CD2' ' A' ' 44' ' ' PHE . 95.1 t -146.8 157.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -134.89 76.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -111.99 -179.63 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . 49.0 t0 -93.6 123.37 36.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -78.03 -4.71 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.0 -25.88 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -115.03 -67.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.533 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 8.4 p -84.75 164.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -112.23 -101.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.14 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.435 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.27 -36.59 83.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -34.74 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.691 ' CD1' ' CE2' ' A' ' 44' ' ' PHE . 93.9 mt -66.11 -36.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -41.43 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -36.33 63.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.66 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 22' ' ' VAL . 17.4 mm -68.9 -53.16 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -62.71 -26.41 68.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.26 -11.78 34.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.8 mt -86.18 -77.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.81 37.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.16 -173.59 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.41 142.87 34.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.437 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.78 126.29 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.9 mt-10 -124.84 117.77 24.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 52' ' ' THR . 10.9 t -67.67 131.79 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -88.45 164.49 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -129.01 126.98 40.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -79.81 128.05 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 2.8 t -98.4 125.93 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -125.18 44.54 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.95 25.66 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -73.9 143.15 45.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.19 -18.88 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.8 OUTLIER 87.8 -154.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.344 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.7 m120 80.43 -67.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.413 ' NE2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -162.76 27.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.9 m -67.05 -56.98 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.9 t -39.49 -49.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.14 -59.18 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -46.17 -43.98 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.71 -59.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.36 -49.02 65.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.33 -45.28 84.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -55.61 -38.24 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.7 t -73.47 -51.28 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.4 -22.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -15.17 60.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.468 ' CG2' HG21 ' A' ' 49' ' ' VAL . 28.7 mm -70.69 111.68 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -60.39 100.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.77 -13.22 2.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.11 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 42' ' ' VAL . 5.7 t -90.13 128.57 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -91.22 -49.04 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.56 153.18 51.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG2' HG21 ' A' ' 42' ' ' VAL . 2.3 p -156.42 148.39 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -148.67 164.33 34.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -149.54 140.72 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 21.5 mp0 -123.3 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.13 -48.35 68.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -83.56 42.2 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 7.6 tttt -146.52 -37.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 71.25 35.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.04 151.17 28.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.7 128.26 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 14.7 p -97.87 147.17 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG13 ' CD1' ' A' ' 44' ' ' PHE . 86.0 t -143.75 144.04 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' N ' HG11 ' A' ' 42' ' ' VAL . 7.9 tttp -118.72 81.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.56 ' CD1' HG13 ' A' ' 42' ' ' VAL . 10.3 p90 -130.14 172.51 11.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.491 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . 17.6 t0 -99.22 138.45 36.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 1.6 tt0 -76.69 -4.06 41.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 -28.06 25.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -100.9 -53.65 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 25' ' ' ILE . 25.9 t -133.7 144.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -106.03 150.2 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -47.83 75.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.1 -40.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -46.52 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.27 -39.15 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.39 -42.82 74.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -57.53 -45.97 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -34.33 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.48 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 23.5 mt -73.3 -58.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -55.07 -30.7 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.3 -11.16 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' CB ' ' CE2' ' A' ' 63' ' ' TYR . 24.2 mt -79.46 -28.77 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.488 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 115.24 17.93 6.48 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' CB ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -124.65 -171.26 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -105.05 137.93 42.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -143.29 136.08 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 0.4 OUTLIER -141.97 127.97 19.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.97 136.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 66' ' ' GLU . 1.5 mp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.43 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 11.2 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.7 OUTLIER -133.65 135.85 44.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.568 ' CE2' HG23 ' A' ' 54' ' ' ILE . 0.6 OUTLIER -116.33 132.34 56.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.473 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 1.9 t -85.51 126.64 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.033 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 38' ' ' GLU . 5.1 p -99.28 131.63 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -138.37 50.63 1.88 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 25.79 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -75.84 145.4 40.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 83.4 p -106.41 -41.84 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 96.5 58.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.46 -80.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -130.26 12.17 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' ' 63' ' ' TYR . 36.1 m -65.92 -57.68 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 33' ' ' VAL . 3.3 t -39.68 -49.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.58 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -49.48 7.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.34 -55.54 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 1.6 tm-20 -53.28 -50.39 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 19' ' ' GLU . 1.3 tt0 -65.24 -45.23 85.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.05 -36.19 38.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.493 ' CG1' HG21 ' A' ' 31' ' ' VAL . 29.1 t -72.28 -64.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.69 -20.44 2.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -31.83 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 5.7 mt -64.11 121.38 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.455 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 21.1 t -63.64 96.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.02 -21.68 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG12 ' CG1' ' A' ' 22' ' ' VAL . 51.7 t -87.26 120.78 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.39 -51.85 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -137.9 153.26 49.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.493 HG21 ' CG1' ' A' ' 22' ' ' VAL . 3.0 p -156.51 155.41 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 3.3 ttpp -154.86 164.25 39.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 15' ' ' VAL . 4.8 p -134.8 145.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.14 106.32 10.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 36.6 tp -62.51 160.09 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 1.3 tttp 57.96 16.42 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -119.45 -34.92 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HA ' ' CG1' ' A' ' 6' ' ' VAL . 58.1 mt-10 67.77 33.78 4.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -151.23 144.25 24.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.83 137.05 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 4.6 p -95.14 134.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG13 ' CZ ' ' A' ' 4' ' ' PHE . 11.1 p -124.31 148.51 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' LYS . 53.1 tttt -129.04 73.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.411 ' CD1' HG12 ' A' ' 42' ' ' VAL . 19.6 p90 -121.88 -163.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -143.36 144.94 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -5.91 46.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -18.71 42.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.62 -53.29 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 26' ' ' SER . 24.8 t -147.05 155.54 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -97.9 146.22 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.93 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.4 t -47.64 -46.22 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -66.59 -35.42 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 4' ' ' PHE . 65.1 mt -62.86 -37.9 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -41.71 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.97 74.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.83 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 3.4 mt -73.78 -57.19 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -55.92 -29.11 59.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.88 -11.0 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.8 mt -84.52 -76.03 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.55 40.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -145.11 -171.46 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 110.976 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.95 129.86 54.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.474 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -137.92 135.74 36.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.48 131.35 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.79 134.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 5' ' ' SER . 1.6 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.453 ' NE2' ' CG1' ' A' ' 67' ' ' VAL . 1.5 mm100 -90.23 156.55 18.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.103 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt-20 -134.45 159.47 40.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -137.48 146.53 44.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.479 ' HB2' ' CD1' ' A' ' 68' ' ' ILE . 1.9 t -97.6 132.19 43.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 57.4 t -104.71 128.92 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -129.01 46.7 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.78 24.12 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 ttm -75.11 153.34 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 58.6 m -118.21 -36.1 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 10' ' ' SER . 6.0 t 87.61 53.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.63 69.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 t60 77.6 0.3 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.641 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' VAL . 22.8 m -65.99 -59.02 4.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.8 t -40.6 -49.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.28 -56.73 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.7 -48.16 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.478 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 50.7 mt -63.54 -57.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -49.35 -53.62 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.75 -45.37 86.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.33 -35.83 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 48.2 t -73.09 -54.01 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.84 -18.93 6.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -18.83 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 13.6 mt -64.33 113.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 31.2 t -59.41 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.05 -18.64 1.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 44' ' ' PHE . 6.4 t -87.93 130.76 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -84.59 -48.18 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.07 141.2 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 32' ' ' LYS . 1.7 p -136.76 151.59 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -140.09 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.22 139.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -118.42 107.3 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.429 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 63.8 tp -65.27 161.78 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.1 15.82 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 11.5 tttt -120.81 -35.86 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 13.5 mt-10 69.02 41.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.57 145.0 21.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.71 134.86 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 5.3 p -98.3 133.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.573 HG13 ' CZ ' ' A' ' 4' ' ' PHE . 11.8 p -122.29 145.8 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -126.25 74.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' CD2' ' N ' ' A' ' 45' ' ' ASP . 29.6 p90 -120.59 -163.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.465 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 5.2 t0 -143.16 144.75 32.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.16 -12.35 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 6.58 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.28 -51.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG12 ' CG2' ' A' ' 25' ' ' ILE . 28.8 t -150.42 159.21 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 2.2 mp0 -103.48 145.5 29.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.85 79.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -46.49 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -36.69 84.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 4' ' ' PHE . 52.1 mt -62.08 -36.92 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -42.56 94.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tp60 -58.67 -45.5 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.67 -29.26 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 9.7 mt -78.31 -48.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -65.19 -28.03 69.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -65.51 -9.6 27.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.9 mt -81.17 -77.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.66 39.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.13 -174.16 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.9 tt0 -105.28 111.85 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.441 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -120.2 141.89 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -151.51 132.86 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.453 ' CG1' ' NE2' ' A' ' 2' ' ' GLN . 90.7 t -63.99 123.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 5' ' ' SER . 97.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.505 ' OE1' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -145.61 133.48 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.49 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 3.8 pt-20 -94.88 161.05 14.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -136.06 151.08 49.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.486 ' CA ' HD13 ' A' ' 68' ' ' ILE . 1.8 t -98.4 131.19 44.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 t -100.68 136.32 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' GLN . 3.7 mttt -135.6 162.57 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.42 -14.84 21.06 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.418 ' CG ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -63.68 147.07 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.736 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 25.0 p -145.01 16.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 90.48 -134.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 67.15 19.32 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 87.98 21.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' CG ' ' A' ' 9' ' ' MET . 9.9 m -66.66 -50.37 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.59 -48.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.15 -58.39 6.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -45.22 -49.0 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 22' ' ' VAL . 63.6 mt -62.63 -55.62 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.63 -53.92 21.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -65.29 -47.99 74.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.1 -34.11 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 31' ' ' VAL . 21.1 t -75.0 -34.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -3.66 54.36 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -89.02 -15.95 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.8 mt -65.13 108.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -57.95 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.74 -14.05 2.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.0 t -83.87 131.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -47.49 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.08 145.02 50.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 22' ' ' VAL . 2.4 p -149.25 144.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 6.1 tttt -155.02 167.24 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 ' CB ' ' A' ' 40' ' ' ALA . 79.5 t -150.6 133.06 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 89.5 mm-40 -108.91 122.31 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tp -67.28 -48.51 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.48 43.36 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -147.1 -37.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.7 mt-10 71.41 33.71 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -151.24 160.51 43.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.473 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 10.3 p -98.52 144.42 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 43' ' ' LYS . 80.4 t -145.44 141.91 22.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' N ' HG11 ' A' ' 42' ' ' VAL . 1.2 tttm -127.03 85.64 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 54' ' ' ILE . 16.1 p90 -120.47 -179.95 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -96.55 132.86 41.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.77 -23.92 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.11 13.0 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.28 -53.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.7 t -134.68 160.01 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 36.4 mm-40 -113.09 147.18 37.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.12 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 t -51.01 -42.31 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.04 93.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 44' ' ' PHE . 70.8 mt -60.64 -36.83 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.43 ' SG ' ' CA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -63.19 -41.78 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -58.9 -44.81 91.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.18 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 9.5 mt -79.74 -46.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -65.04 -30.03 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.3 tt0 -65.15 -9.75 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.2 mt -82.02 -76.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 167.82 39.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.37 166.75 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.2 tp60 -90.46 91.76 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -106.7 140.27 39.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' CA ' ' SG ' ' A' ' 55' ' ' CYS . 2.8 pt-20 -154.5 143.75 21.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.505 ' CG1' ' OE1' ' A' ' 2' ' ' GLN . 88.4 t -64.2 132.88 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.486 HD13 ' CA ' ' A' ' 5' ' ' SER . 57.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.58 162.97 31.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 13.3 pt-20 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.3 138.36 53.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -93.73 133.74 36.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 77.6 t -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.19 48.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.71 27.09 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.469 ' CE ' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -75.37 157.68 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -109.65 -29.91 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 7.2 t 83.04 133.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.7 m-20 81.09 95.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.523 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER 89.4 -29.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 10' ' ' SER . 18.8 m -63.93 -58.59 6.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.33 -48.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.53 -53.9 35.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -44.65 -48.72 10.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.0 mt -63.73 -59.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -53.74 21.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.41 97.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -53.92 -38.43 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.9 t -75.34 -50.72 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.13 -23.5 17.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -17.11 60.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.3 mm -68.78 114.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -64.93 96.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.68 -16.72 2.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.8 134.15 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -96.27 -46.47 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -135.79 156.67 48.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 32' ' ' LYS . 2.9 p -155.17 143.5 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' HG22 ' A' ' 31' ' ' VAL . 4.4 ttmm -150.06 166.14 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.2 t -155.22 133.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.7 mp0 -115.81 120.04 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD22 ' CE ' ' A' ' 9' ' ' MET . 1.0 OUTLIER -67.21 -47.73 70.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.1 42.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -146.79 -36.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.9 mt-10 72.52 19.66 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -135.74 157.59 46.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.64 138.28 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.28 138.99 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 43' ' ' LYS . 39.7 t -143.87 153.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.444 ' N ' HG11 ' A' ' 42' ' ' VAL . 2.7 tttp -131.08 95.31 3.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.5 p90 -130.02 177.56 7.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.94 131.88 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.64 -24.4 56.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 12.08 10.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.64 -51.2 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.8 t -134.74 149.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -108.97 145.79 34.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.444 ' HB1' ' CE1' ' A' ' 4' ' ' PHE . . . -56.26 -45.23 80.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.67 -41.19 42.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -43.08 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -43.0 99.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -38.91 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.79 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 mt -68.7 -55.07 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -60.97 -28.48 69.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.13 -12.27 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.5 mt -83.75 -76.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.72 38.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.03 177.71 8.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 0.717 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.15 133.41 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.06 153.76 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -155.07 134.26 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.1 t -69.1 137.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -150.12 160.03 43.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -134.05 153.9 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.535 ' CD2' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -127.76 129.07 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -85.1 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 45.2 t -104.42 137.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -139.58 44.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.74 25.39 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.28 146.81 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -110.23 -37.84 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.5 t 88.64 156.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.32 78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 89.61 -16.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.9 m -65.88 -58.9 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG11 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -42.45 -48.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -54.98 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.51 -43.98 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.0 mt -67.3 -62.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.33 -49.2 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -65.3 -45.42 84.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.76 -44.0 85.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' A' ' 31' ' ' VAL . 25.1 t -74.1 -40.87 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.95 -13.16 46.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -85.93 -12.85 49.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.74 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' A' ' 49' ' ' VAL . 31.4 mm -67.92 122.27 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -65.38 107.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.63 -21.11 4.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.408 HG11 ' CG2' ' A' ' 42' ' ' VAL . 48.6 t -82.09 121.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 1.9 tttm -85.48 -54.37 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 10.1 mmtt -131.57 151.94 51.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.474 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.1 p -156.54 148.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -155.86 164.43 38.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' HG11 ' A' ' 15' ' ' VAL . 4.5 p -138.05 141.05 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 15.5 mm-40 -118.58 121.34 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.24 -46.66 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.27 41.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.8 tttt -146.29 -39.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.0 mt-10 70.98 29.25 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' CG ' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -155.2 138.92 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.06 136.85 40.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 t -103.8 129.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.529 HG12 ' CE1' ' A' ' 44' ' ' PHE . 12.2 p -120.32 153.34 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' LYS . 7.0 tttm -126.76 67.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' CE1' HG12 ' A' ' 42' ' ' VAL . 29.4 p90 -113.86 -162.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' VAL . 9.9 t0 -142.92 142.58 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -73.38 -8.34 55.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 5.17 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.27 -53.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.52 HG11 ' CD2' ' A' ' 44' ' ' PHE . 9.1 p -138.27 150.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.88 143.71 34.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.57 -42.77 34.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -37.56 86.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.18 -38.74 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.18 -41.94 85.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.86 -42.61 99.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 25' ' ' ILE . . . -61.39 -39.44 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.466 HG23 ' CB ' ' A' ' 65' ' ' ALA . 11.5 mt -67.52 -50.4 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.42 -27.46 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 mm-40 -65.19 -9.97 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.9 mt -81.29 -76.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.72 39.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.96 -176.52 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.29 118.25 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 58' ' ' ILE . . . -133.61 149.41 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' SER . 8.5 mm-40 -154.97 131.13 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.535 HG23 ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -68.97 123.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 68' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.562 ' NE2' ' CG1' ' A' ' 67' ' ' VAL . 2.1 tt0 -140.34 146.4 38.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.533 ' N ' ' HG3' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -130.49 153.52 48.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.576 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -128.59 147.43 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -100.19 128.67 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.433 HG11 ' N ' ' A' ' 7' ' ' LYS . 29.1 t -103.68 143.62 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' N ' HG11 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -143.86 42.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.87 23.19 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.473 ' SD ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.06 153.06 39.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 0.789 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 57.0 m -112.48 -22.81 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.7 OUTLIER 86.66 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.33 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.5 m120 78.77 -67.18 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -157.51 25.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.3 m -66.39 -56.12 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.344 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 t -41.74 -49.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.43 -49.99 67.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.65 -47.42 70.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.481 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 48.6 mt -68.05 -52.17 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -52.68 -53.5 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -64.27 -44.74 90.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -58.51 -42.96 88.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 60.5 t -67.03 -54.56 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.82 -19.92 3.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -13.75 60.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 16.3 mt -68.18 117.61 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.8 t -64.8 108.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.06 -20.19 4.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.52 125.95 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -49.7 7.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -135.52 159.56 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG23 ' CG1' ' A' ' 22' ' ' VAL . 5.0 p -155.59 152.0 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.58 167.86 29.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 78.1 t -155.23 141.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 17.5 mp0 -124.24 117.5 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD2' ' SD ' ' A' ' 9' ' ' MET . 1.6 tm? -66.63 -45.17 79.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.63 41.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -145.52 -43.58 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 37' ' ' LYS . 2.0 mt-10 79.09 28.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.99 140.24 21.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -104.92 138.47 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 t -104.77 133.46 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.582 HG13 ' CD1' ' A' ' 44' ' ' PHE . 98.1 t -137.38 144.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' N ' HG11 ' A' ' 42' ' ' VAL . 1.3 ttpp -124.94 95.95 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CZ ' ' CD1' ' A' ' 54' ' ' ILE . 2.4 p90 -135.22 178.5 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 49' ' ' VAL . 62.4 t0 -95.72 124.87 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.22 -5.32 46.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.54 -32.53 28.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -107.33 -70.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 45' ' ' ASP . 36.6 t -88.7 154.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.78 156.44 43.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' CB ' ' OE1' ' A' ' 2' ' ' GLN . . . -56.88 -37.16 70.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.77 -45.86 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.584 ' CD1' ' CZ ' ' A' ' 44' ' ' PHE . 18.0 mt -65.57 -39.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -44.25 83.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.65 -50.41 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.93 -32.78 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.2 mt -73.49 -65.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -52.79 -26.99 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.1 tt0 -65.0 -11.53 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.5 mt -84.06 -76.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.22 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.71 -173.37 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -106.59 134.74 49.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.22 133.33 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 mt-10 -125.79 142.07 51.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.562 ' CG1' ' NE2' ' A' ' 2' ' ' GLN . 98.6 t -76.14 119.58 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 67' ' ' VAL . 1.5 mp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 77.51 118.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 15.2 pt-20 -105.23 164.75 11.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CE2' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -133.88 129.97 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' GLU . 3.3 t -79.51 128.43 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 t -107.35 116.43 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -113.03 49.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.43 24.82 0.22 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.38 158.23 33.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 11.8 m -113.25 -23.18 10.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 10' ' ' SER . 18.7 t 68.47 67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.522 ' OD1' ' CB ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -166.65 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -122.21 -1.43 9.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.569 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' VAL . 17.5 m -66.77 -59.34 3.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG11 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -36.88 -50.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.24 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -44.91 -45.54 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.42 -58.77 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.42 -43.83 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.53 -47.72 74.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.77 -56.24 14.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.475 ' CG1' HG21 ' A' ' 31' ' ' VAL . 68.0 t -54.35 -33.44 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' CA ' HG12 ' A' ' 31' ' ' VAL . . . -75.51 -19.54 79.23 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -9.7 58.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.0 113.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -65.16 96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.51 -13.25 2.73 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 t -85.46 124.14 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -49.86 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -132.38 148.24 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG21 ' CG1' ' A' ' 22' ' ' VAL . 1.5 p -155.49 140.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 164.25 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.463 ' CG1' HG11 ' A' ' 15' ' ' VAL . 4.8 p -138.93 142.74 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.19 106.93 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 38.3 tp -63.01 155.75 26.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt 63.39 9.87 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -117.5 -34.91 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 5.5 mt-10 68.85 35.47 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -144.09 144.58 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.35 131.62 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.06 145.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.532 HG23 ' CE2' ' A' ' 4' ' ' PHE . 72.7 t -143.19 140.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' N ' HG11 ' A' ' 42' ' ' VAL . 19.3 tttt -124.71 86.13 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.443 ' CD1' HG13 ' A' ' 42' ' ' VAL . 15.8 p90 -122.08 -179.83 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -96.61 131.27 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.44 -23.13 56.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 14.08 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.22 -52.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.61 158.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -116.06 144.12 44.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.75 -43.66 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.83 -40.67 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -45.43 84.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 4' ' ' PHE . 84.9 mt -58.89 -37.59 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.1 -41.35 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 5.1 tp60 -65.51 -42.64 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -21.64 66.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 55' ' ' CYS . 29.5 mt -76.33 -63.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.492 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 5.0 p30 -65.36 -28.55 69.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.3 mm-40 -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 10.6 mt -77.7 -74.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 178.72 35.98 0.06 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.22 -171.0 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -105.16 154.56 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.28 141.0 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.5 OUTLIER -143.18 114.96 8.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 70.8 t -64.9 130.87 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.89 142.59 36.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 7.6 pt-20 -105.95 157.72 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -136.39 131.62 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 65' ' ' ALA . 2.2 t -78.97 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 86.2 t -146.77 141.59 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' N ' HG11 ' A' ' 6' ' ' VAL . 3.2 mtpt -155.12 48.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.03 26.6 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.78 144.79 41.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 28.0 m -116.69 -32.45 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 92.07 -147.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.9 m-80 66.35 33.12 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 90.07 16.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.605 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m -66.63 -52.88 40.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 35' ' ' LEU . 3.0 t -39.86 -49.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -43.38 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 mt -69.93 -60.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -45.51 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.52 -53.24 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.25 83.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.436 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 50.3 t -55.44 -39.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.14 -11.43 32.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -81.92 -7.65 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CG2' HG12 ' A' ' 49' ' ' VAL . 18.8 mt -65.33 114.12 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 6.1 t -65.16 96.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.02 -7.01 4.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.613 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -83.56 136.4 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -45.72 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -137.32 156.48 48.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.09 145.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.16 169.53 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 t -151.91 154.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 10.8 mt-30 -136.04 104.95 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 1.3 tt -67.68 -45.37 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 39.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 2.6 tttt -147.46 -43.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 3.4 mt-10 84.83 34.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HE2' ' CE ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -154.3 171.29 19.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -140.49 150.35 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.9 t -122.17 139.27 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.613 ' CG1' ' CG2' ' A' ' 28' ' ' VAL . 76.8 t -143.72 142.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 1' ' ' ALA . 11.2 tttt -114.68 99.78 7.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -129.7 -161.82 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' VAL . 20.1 t0 -141.06 140.37 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -13.64 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.72 8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -52.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG12 ' CG2' ' A' ' 25' ' ' ILE . 25.6 t -145.66 156.76 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -106.2 147.51 28.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.45 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -42.6 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -39.3 90.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 4' ' ' PHE . 87.6 mt -58.4 -36.46 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -61.71 -42.39 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.292 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tm0? -59.7 -39.19 83.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.36 -29.67 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 10.8 mt -78.43 -53.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.87 -25.67 68.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -65.3 -9.96 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.7 mt -84.71 -78.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.498 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -145.25 -179.53 6.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 3.8 tt0 -106.59 132.2 52.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 5' ' ' SER . . . -145.35 128.26 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 5' ' ' SER . 13.9 mm-40 -115.25 117.97 31.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.456 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -65.64 131.74 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -99.49 163.12 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' C ' HG12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -132.49 166.54 21.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -146.06 126.0 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' N ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -85.13 127.96 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 92.9 t -99.16 125.56 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -122.38 44.8 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.78 24.9 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.442 ' SD ' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -73.55 161.46 30.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.607 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 70.3 m -115.07 -25.45 8.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.607 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.6 t 96.57 -16.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER -74.12 -141.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.26 22.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' A' ' 12' ' ' ASN . 10.3 m -66.53 -55.14 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 33' ' ' VAL . 2.8 t -42.26 -48.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.64 86.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -37.93 64.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.464 ' CG2' HG12 ' A' ' 58' ' ' ILE . 49.2 mt -75.09 -60.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -44.86 -50.58 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.28 -53.32 45.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.6 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 31' ' ' VAL . 97.4 t -75.55 -49.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -12.7 28.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -77.12 -18.7 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.458 ' CG2' HG12 ' A' ' 49' ' ' VAL . 13.2 mt -69.14 117.26 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -65.51 92.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.4 -19.7 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.459 HG21 ' CG1' ' A' ' 42' ' ' VAL . 2.7 t -79.44 123.56 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -51.11 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.07 156.02 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 22' ' ' VAL . 3.9 p -155.29 150.71 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.1 tptt -155.75 165.78 35.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.458 HG12 ' CG2' ' A' ' 15' ' ' VAL . 13.2 t -140.19 151.36 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.13 106.27 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 15.0 tp -65.11 162.03 17.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 57.99 15.98 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 6.8 tttt -121.13 -37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 70.7 36.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -150.71 145.92 26.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.81 145.2 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 8.5 p -109.63 147.77 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG1' HG21 ' A' ' 28' ' ' VAL . 76.4 t -145.66 149.67 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' N ' HG11 ' A' ' 42' ' ' VAL . 21.1 ttmt -123.51 69.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.5 ' CD2' HD13 ' A' ' 54' ' ' ILE . 48.8 p90 -99.28 -168.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 49' ' ' VAL . 24.0 t0 -142.41 139.39 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG2' ' A' ' 50' ' ' GLN . 1.5 tt0 -70.14 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.81 5.45 24.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.25 -55.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 25.0 t -146.63 162.88 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.9 mt-30 -113.92 158.62 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HA ' ' CD1' ' A' ' 54' ' ' ILE . . . -56.3 -38.42 71.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.3 t -52.71 -45.56 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -65.98 -39.15 90.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.5 HD13 ' CD2' ' A' ' 44' ' ' PHE . 7.6 mt -62.8 -37.0 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -42.49 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.27 -47.68 78.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.66 -35.78 22.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.47 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 26.3 mt -70.78 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -51.3 -26.56 7.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLN . 18.2 tt0 -65.3 -10.08 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.0 mt -88.55 -78.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.25 39.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.1 -172.66 3.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.26 141.22 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -145.53 137.71 25.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -148.62 128.19 13.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.6 t -67.2 155.01 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.457 ' N ' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 43' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -107.83 141.29 39.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 11.8 pt-20 -106.35 160.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 1.3 m-85 -138.07 131.65 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.0 t -78.23 132.82 37.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.478 HG13 ' CE ' ' A' ' 9' ' ' MET . 23.3 t -86.35 143.78 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 64' ' ' GLN . 11.3 mttt -155.77 155.04 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.34 7.22 24.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.478 ' CE ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -71.57 157.02 38.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 3.4 m -114.01 -29.53 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.509 ' SG ' ' CD2' ' A' ' 35' ' ' LEU . 5.7 t 88.56 -5.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.12 72.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 68.13 8.65 6.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 m -66.77 -58.44 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 HG11 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.6 -51.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -55.52 15.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -45.12 -43.72 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.1 mt -66.44 -64.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 2.5 tt0 -49.03 -32.98 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -60.55 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.14 87.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 31' ' ' VAL . 56.0 t -54.56 -32.66 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.37 -18.89 72.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.85 -5.94 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 110.228 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.96 113.91 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -64.85 95.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.85 -13.57 2.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.1 132.64 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.249 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -46.29 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -141.17 156.16 45.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' ' 22' ' ' VAL . 2.5 p -145.46 144.75 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' VAL . 9.7 tptt -152.65 163.97 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG1' HG11 ' A' ' 15' ' ' VAL . 13.3 t -155.77 124.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 35.9 mm-40 -112.81 119.96 39.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.509 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 32.8 tp -67.46 -47.1 71.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 42.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 12.9 tttt -145.62 -37.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 70.98 31.07 2.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.01 143.31 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.05 140.6 38.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' LYS . 1.5 t -109.53 123.35 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.593 HG13 ' CD1' ' A' ' 44' ' ' PHE . 74.6 t -135.83 137.89 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.478 ' HA ' ' CB ' ' A' ' 1' ' ' ALA . 2.8 tttm -115.43 100.35 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -131.27 169.23 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.1 -22.49 58.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.78 14.91 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.44 -56.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.2 t -134.56 160.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 17.1 mm-40 -108.39 142.7 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.12 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.17 -42.95 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -32.96 74.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.72 -38.64 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.426 ' SG ' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -65.18 -43.12 92.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.252 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -36.29 76.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -27.04 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 5.4 mt -78.32 -51.89 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -60.05 -28.58 67.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -9.85 25.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.1 mt -89.72 -77.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.23 39.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -142.34 -164.26 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -133.2 109.73 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -111.61 117.3 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -97.3 141.93 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.426 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 88.5 t -86.38 137.35 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.465 ' CG1' ' HG3' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.81 124.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.12 161.01 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -131.86 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.48 ' HB2' ' CD1' ' A' ' 68' ' ' ILE . 1.7 t -95.08 130.89 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 92.1 t -106.1 126.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -122.36 51.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.28 26.63 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.477 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -71.0 148.09 47.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 2.3 m -122.1 -39.43 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.7 t 93.08 170.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m-20 80.48 66.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 74.91 5.95 4.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 22.3 m -66.15 -54.82 20.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -46.2 -49.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.0 -47.66 76.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -43.69 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 22' ' ' VAL . 34.7 mt -74.27 -63.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.98 -35.36 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -62.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.29 89.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.447 HG13 ' CG2' ' A' ' 31' ' ' VAL . 97.9 t -61.0 -32.54 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.471 ' CA ' HG12 ' A' ' 31' ' ' VAL . . . -80.91 -20.88 64.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 24' ' ' ARG . 21.3 ttp180 -84.03 -5.56 59.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' A' ' 49' ' ' VAL . 35.6 mm -64.56 118.29 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -64.47 101.04 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.49 -16.41 3.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -85.75 124.44 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.241 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -84.87 -49.43 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -134.26 151.52 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' CA ' ' A' ' 23' ' ' GLY . 2.6 p -147.43 149.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 6.7 tttp -155.54 165.57 36.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.476 HG22 ' CB ' ' A' ' 40' ' ' ALA . 56.9 t -155.67 144.52 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 16.5 mp0 -127.54 118.46 24.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.477 HD13 ' CE ' ' A' ' 9' ' ' MET . 7.9 tt -67.11 -49.52 64.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.63 43.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.4 tttm -146.95 -37.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 4.1 mt-10 71.17 33.43 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -154.08 152.79 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -124.36 146.56 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.0 t -116.77 148.92 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 54' ' ' ILE . 75.7 t -145.19 143.65 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' N ' HG11 ' A' ' 42' ' ' VAL . 31.5 tttm -118.92 75.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CD2' HG11 ' A' ' 49' ' ' VAL . 27.5 p90 -117.58 -165.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.479 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 26.9 t0 -142.39 139.49 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.1 OUTLIER -69.05 -6.88 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.6 -15.05 50.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -120.47 -54.71 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 44' ' ' PHE . 8.1 p -136.39 151.92 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -104.38 144.35 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.63 80.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -39.1 52.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -42.6 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.487 ' CD1' HG13 ' A' ' 42' ' ' VAL . 34.9 mt -60.17 -39.77 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -42.55 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 5.2 tp60 -62.2 -44.45 96.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.42 -41.93 69.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 32.7 mt -62.4 -54.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -63.6 -24.33 67.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLN . 27.4 tt0 -65.11 -10.36 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.7 mt -88.38 -76.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.98 37.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.33 -172.68 3.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.67 143.49 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.93 141.29 27.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' SER . 3.4 mt-10 -155.38 132.28 10.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.97 127.3 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 5' ' ' SER . 98.4 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.563 ' O ' ' CE2' ' A' ' 44' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.45 143.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.1 pm0 -96.77 172.85 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.14 130.13 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -84.24 134.85 34.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 21.8 t -110.15 122.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -121.42 45.97 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 25.13 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.463 ' CE ' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.02 140.54 43.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 6.2 m -113.66 -22.97 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 88.99 -146.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER 71.04 -68.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -157.93 24.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.8 m -67.02 -56.87 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.479 ' CG2' HG12 ' A' ' 33' ' ' VAL . 2.8 t -40.1 -49.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.33 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.381 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -55.37 -46.82 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -65.59 -53.17 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -55.97 -51.14 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -39.91 92.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -61.48 -49.93 74.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.48 ' CG1' HG23 ' A' ' 31' ' ' VAL . 61.8 t -68.77 -31.61 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.57 -7.41 61.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -13.75 28.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.8 mm -67.4 117.57 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -65.15 102.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -20.6 3.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -76.27 132.58 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -45.16 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -144.89 141.84 29.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG23 ' CG1' ' A' ' 22' ' ' VAL . 1.8 p -147.06 142.62 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' N ' HG22 ' A' ' 31' ' ' VAL . 7.8 tttp -155.53 163.6 39.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 15' ' ' VAL . 4.4 p -142.45 153.59 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.1 mm-40 -126.83 124.12 38.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD1' ' CE ' ' A' ' 9' ' ' MET . 40.1 tp -66.91 -49.14 66.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.37 43.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.1 tttt -147.06 -38.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.4 mt-10 70.96 30.5 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.48 158.22 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.44 148.15 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -115.77 144.66 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.475 HG21 ' CG2' ' A' ' 31' ' ' VAL . 94.7 t -145.14 156.46 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' HG11 ' A' ' 42' ' ' VAL . 19.6 tttt -133.52 73.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 49' ' ' VAL . 23.9 p90 -104.19 -179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -96.48 123.21 40.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 2.5 tt0 -79.09 -5.3 53.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.55 -1.89 57.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.9 -69.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 44' ' ' PHE . 10.3 p -95.41 152.84 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.45 155.69 38.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' CZ ' ' A' ' 44' ' ' PHE . . . -57.65 -35.69 70.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -39.04 62.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -42.22 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.498 HD11 ' CE2' ' A' ' 44' ' ' PHE . 96.6 mt -61.54 -38.69 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.24 -44.68 95.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.02 71.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.446 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 8.6 mt -66.43 -51.55 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -65.42 -23.5 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -65.1 -10.32 29.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.526 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 13.7 mt -88.89 -76.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.57 39.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.02 -171.04 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.15 140.13 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -145.77 124.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -127.89 147.52 50.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 70.1 t -85.92 148.96 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -152.03 151.3 30.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.504 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 12.5 pt-20 -105.61 167.75 9.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -139.19 128.54 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -84.41 126.72 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.468 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 15.3 t -101.7 133.19 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -136.04 44.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.31 23.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.482 ' SD ' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.34 140.82 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 36.3 m -113.59 -19.88 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.9 t 89.4 -142.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 66.1 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' CYS . 1.2 t60 -149.2 20.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' VAL . 46.7 m -66.05 -60.51 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.263 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.9 t -39.76 -49.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.38 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -45.41 -42.84 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -70.94 -59.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -48.68 -48.61 39.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -51.06 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -33.63 69.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.404 ' CG1' HG21 ' A' ' 31' ' ' VAL . 41.7 t -74.96 -40.59 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.43 -10.6 70.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -13.95 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.3 120.95 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -64.63 103.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -8.58 4.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 44' ' ' PHE . 22.1 t -94.42 125.77 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -49.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 155.28 50.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.404 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.2 p -153.99 151.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HE3' ' NE2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -155.67 168.02 28.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -151.39 134.21 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.42 ' NE2' ' HE3' ' A' ' 32' ' ' LYS . 7.2 mm-40 -107.52 102.36 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 60.0 tp -60.04 158.29 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt 59.39 14.73 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -118.02 -33.89 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 6' ' ' VAL . 23.5 mt-10 68.59 35.6 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -148.31 145.48 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.33 149.26 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.01 132.22 68.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.483 HG13 ' CZ ' ' A' ' 4' ' ' PHE . 10.7 p -124.4 152.8 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.34 63.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -108.66 -171.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -98.8 125.13 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 2.0 tp10 -77.34 -26.15 51.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 17.32 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.03 -44.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.584 HG11 ' CD2' ' A' ' 44' ' ' PHE . 11.7 p -133.3 154.88 40.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.47 141.65 36.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.64 -43.24 84.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.42 -36.13 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.27 86.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.41 ' CD1' HG23 ' A' ' 42' ' ' VAL . 20.6 mt -60.59 -38.32 77.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -40.53 81.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.44 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -63.88 -55.12 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.87 -20.8 54.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.476 HG23 ' CB ' ' A' ' 65' ' ' ALA . 18.9 mt -76.04 -62.02 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.486 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.6 p30 -65.87 -29.19 69.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 64.7 tt0 -48.71 -21.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.5 mt -74.85 -71.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.37 38.28 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.41 179.04 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.66 139.82 39.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.476 ' CB ' HG23 ' A' ' 58' ' ' ILE . . . -145.91 123.82 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.4 mt-10 -115.82 119.21 35.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 4' ' ' PHE . 2.2 t -66.13 135.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.523 ' HB1' ' CE1' ' A' ' 44' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.404 ' NE2' ' C ' ' A' ' 68' ' ' ILE . 3.9 mt-30 -96.7 153.36 17.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 68' ' ' ILE . 14.6 pt-20 -106.2 168.71 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -145.32 132.85 20.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -85.33 130.33 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 43.4 t -103.93 124.65 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -125.59 44.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.13 22.67 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.404 ' HE3' ' CG2' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -76.05 156.73 33.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 13.0 m -117.58 -36.33 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 10' ' ' SER . 6.4 t 84.36 75.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.16 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.86 5.57 4.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.3 m -66.84 -57.47 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.493 ' CG1' ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.5 -49.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.13 -61.42 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.53 -42.69 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -70.54 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.8 -47.11 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -49.35 70.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.47 -44.03 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' A' ' 42' ' ' VAL . 48.5 t -69.94 -48.24 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.62 -10.53 37.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.0 tpt85 -88.33 -13.01 41.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 28' ' ' VAL . 36.3 mm -64.28 123.32 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -65.23 113.35 3.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.18 -10.33 10.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.468 ' CG2' ' HB ' ' A' ' 25' ' ' ILE . 58.0 t -87.1 129.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -37.0 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -166.16 167.37 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.493 ' CG2' HG21 ' A' ' 42' ' ' VAL . 2.6 p -157.26 159.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.46 164.17 39.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.493 ' CG1' ' CG1' ' A' ' 15' ' ' VAL . 4.8 p -135.34 152.31 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -111.16 97.27 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 36' ' ' LYS . 2.7 tm? -65.72 159.17 25.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 12.3 tttp 49.93 22.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.2 mt-10 74.29 53.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.523 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -147.34 161.56 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.2 136.58 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -127.75 141.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.579 HG13 ' CD2' ' A' ' 44' ' ' PHE . 95.9 t -132.84 158.72 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.95 86.14 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CD2' HG13 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -127.29 177.22 6.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.97 128.17 42.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.4 -22.99 62.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.65 16.95 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.31 -47.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.6 p -134.13 167.96 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -124.77 145.75 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.39 -41.98 77.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.59 -29.73 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -44.33 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.571 HD13 ' CE2' ' A' ' 44' ' ' PHE . 3.3 mp -61.31 -39.31 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' SG ' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -56.37 -42.6 78.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.06 -44.19 97.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -33.63 71.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 17.3 mt -71.91 -60.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.1 -29.6 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.33 -10.37 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.89 -79.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 168.23 38.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -145.37 -173.57 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.79 136.98 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -139.1 118.21 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.4 mt-10 -110.33 126.84 54.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.434 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 87.2 t -75.01 137.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' OE1' ' CG1' ' A' ' 67' ' ' VAL . 2.5 mm-40 -105.75 150.5 25.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' C ' HG13 ' A' ' 68' ' ' ILE . 6.2 pt-20 -106.28 166.0 10.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -145.89 124.28 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -87.87 130.02 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 64' ' ' GLN . 5.7 t -107.77 133.31 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -128.57 44.86 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.77 23.9 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.2 151.17 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 p -121.19 -39.22 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.945 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.9 t 89.39 160.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.299 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.59 76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.3 t-80 89.8 -19.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' VAL . 9.1 m -65.26 -60.9 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.481 ' CG1' HG12 ' A' ' 33' ' ' VAL . 2.7 t -38.69 -50.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.26 -54.54 23.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -44.66 -39.68 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.4 -64.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.67 -47.85 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.23 -51.21 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.07 -38.9 71.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 31' ' ' VAL . 16.9 t -74.73 -41.36 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.99 60.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 5.0 ttm-85 -90.75 -13.23 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CG2' HG12 ' A' ' 49' ' ' VAL . 32.8 mm -66.04 118.5 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 29.3 t -65.37 95.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.98 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.74 -16.12 1.79 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG1' HG12 ' A' ' 42' ' ' VAL . 42.6 t -85.57 128.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -48.03 9.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -136.68 156.35 48.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 22' ' ' VAL . 2.5 p -144.92 149.91 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.68 164.49 38.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.481 HG12 ' CG1' ' A' ' 15' ' ' VAL . 5.4 p -133.64 151.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.5 90.27 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' C ' ' N ' ' A' ' 37' ' ' LYS . 12.8 tp -65.61 170.29 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 pttp 42.19 28.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 1.7 tttt -144.11 -38.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.1 mt-10 74.02 54.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -146.78 147.71 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -124.72 142.62 51.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.1 t -118.89 141.82 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 22' ' ' VAL . 77.2 t -145.79 152.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' N ' HG11 ' A' ' 42' ' ' VAL . 5.5 tttp -127.33 67.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.477 ' CD2' ' N ' ' A' ' 45' ' ' ASP . 24.3 p90 -109.69 -164.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.477 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 4.3 t70 -143.34 143.45 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -70.75 -6.79 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.33 -17.96 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.499 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -111.48 -55.77 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG12 ' CG2' ' A' ' 25' ' ' ILE . 25.2 t -143.72 159.67 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.1 mt-30 -101.96 145.03 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.88 -45.08 78.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -37.21 57.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -43.79 92.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.11 -37.46 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.416 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -63.3 -40.28 96.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -60.09 -57.65 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.51 52.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.481 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 7.5 mt -74.19 -60.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.477 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.5 p30 -66.27 -30.3 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 9.3 tt0 -50.04 -20.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.2 mt -73.93 -70.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.18 37.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.67 179.29 7.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.478 ' O ' ' CG1' ' A' ' 6' ' ' VAL . 0.7 OUTLIER -105.72 141.9 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.481 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -147.5 150.15 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.0 pt-20 -153.55 126.05 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.4 ' CG1' ' OE1' ' A' ' 2' ' ' GLN . 89.7 t -68.94 148.38 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.418 HG13 ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -147.61 159.74 43.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.5 pt-20 -132.51 166.42 22.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.27 133.69 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.2 t -87.53 131.68 34.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 42.9 t -107.75 131.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -134.11 48.99 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 27.4 0.18 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.62 149.78 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -121.41 -40.24 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.6 t 89.19 173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER 74.08 69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.2 t60 89.81 -12.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.568 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -65.7 -57.25 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 t -42.69 -48.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.51 -57.35 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -44.23 -45.13 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.21 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.68 -49.73 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -65.1 -48.22 74.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.78 -46.23 81.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 42' ' ' VAL . 53.4 t -70.35 -32.17 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.47 ' CA ' HG12 ' A' ' 31' ' ' VAL . . . -76.64 -23.08 70.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -76.56 -5.52 48.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.437 ' CG2' HG12 ' A' ' 54' ' ' ILE . 37.5 mm -68.27 119.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -64.87 103.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.92 -5.0 5.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.4 t -94.0 142.74 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.31 -39.74 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -140.21 148.25 41.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 HG12 ' CA ' ' A' ' 23' ' ' GLY . 1.6 p -154.83 145.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 30.3 tttt -155.39 164.92 38.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 p -134.37 156.92 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 30.5 mm-40 -130.35 103.41 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.8 161.26 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp 54.03 18.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 34' ' ' GLN . 7.9 tttt -122.33 -36.24 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 72.2 mt-10 69.44 42.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.4 146.85 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.5 143.1 51.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 11.0 p -107.56 143.47 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.497 ' CG1' ' CD2' ' A' ' 44' ' ' PHE . 73.4 t -145.71 146.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.54 96.78 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.505 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -129.9 -179.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -95.38 131.67 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.59 -23.41 60.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.5 17.01 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -46.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.505 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.4 p -133.7 166.39 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -104.37 -101.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.92 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.433 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.37 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -43.23 87.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.451 HD11 ' CD2' ' A' ' 44' ' ' PHE . 34.7 mt -59.44 -40.35 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -56.26 -41.38 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -32.19 57.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.4 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 1.9 mp -64.8 -58.6 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.563 ' C ' ' H ' ' A' ' 61' ' ' LEU . 12.4 m-20 -54.15 -25.87 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.66 31.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 3.8 mt -141.38 -75.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.02 39.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.1 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.13 143.55 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.93 131.13 18.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.3 OUTLIER -124.87 121.81 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 52' ' ' THR . 98.1 t -67.29 140.25 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -100.16 166.98 10.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.5 pt-20 -106.06 149.55 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.538 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -134.64 131.45 37.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.0 t -82.95 125.95 31.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.442 ' CG1' ' HE2' ' A' ' 9' ' ' MET . 5.1 p -103.17 118.48 50.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' CB ' ' HB2' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -123.73 -172.87 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.05 16.53 6.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.473 ' HG2' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -75.3 146.11 41.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 14.1 m -88.72 -39.91 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.4 t 96.34 61.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.03 -81.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.633 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 16.3 t60 -124.91 15.46 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 9' ' ' MET . 8.6 m -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG22 ' CE ' ' A' ' 9' ' ' MET . 2.8 t -37.48 -51.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.17 83.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -54.71 -47.71 73.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.569 HD11 ' CD2' ' A' ' 63' ' ' TYR . 3.3 mm -63.89 -56.07 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 1.1 tm-20 -53.14 -50.94 63.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.85 -46.11 79.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -54.14 -30.73 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.487 ' CG1' HG23 ' A' ' 31' ' ' VAL . 65.0 t -73.21 -38.72 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.63 -9.43 38.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -87.01 -23.88 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 10.2 mt -68.24 114.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -64.59 99.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.31 -12.48 3.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -82.83 132.04 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.45 -48.94 3.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -126.2 151.43 47.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 32' ' ' LYS . 3.5 p -155.79 144.42 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -155.45 161.75 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 85.5 t -150.98 148.71 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.437 ' HG3' ' NZ ' ' A' ' 32' ' ' LYS . 6.3 mt-30 -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 13.0 tp -65.66 164.97 13.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 54.63 18.59 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -41.83 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' C ' ' HG2' ' A' ' 39' ' ' LYS . 20.0 mt-10 76.4 30.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -140.69 138.7 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.9 149.18 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -122.64 135.75 61.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' A' ' 22' ' ' VAL . 65.6 t -134.9 153.02 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -131.85 98.43 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' A' ' 54' ' ' ILE . 3.2 p90 -133.88 -179.59 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -96.05 132.18 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.41 -23.24 57.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.44 13.38 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 -52.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -134.42 155.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -114.08 147.22 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.69 -41.49 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.7 t -54.01 -45.55 71.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.99 -38.32 88.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' A' ' 44' ' ' PHE . 97.0 mt -62.38 -38.37 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.419 ' SG ' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -64.84 -42.87 94.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.95 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.48 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 16.0 mm -79.62 -45.51 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -65.01 -31.42 72.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -10.46 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.7 mt -80.49 -75.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 164.97 42.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' HD11 ' A' ' 18' ' ' ILE . 1.4 m-85 -145.05 -177.01 5.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.506 ' HB2' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -105.31 97.23 7.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -102.46 120.46 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.1 mm-40 -114.14 139.59 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 88.0 t -85.69 129.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' N ' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mm100 -131.29 125.23 32.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 15.6 pt-20 -86.37 146.32 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -127.74 129.31 46.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -85.33 131.06 34.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 20.4 t -107.42 135.8 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -134.07 45.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.16 24.64 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 152.11 38.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.8 m -118.83 -36.36 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 10' ' ' SER . 5.4 t 88.14 52.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.479 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.6 m-20 -145.37 56.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.496 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 85.1 7.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m -65.92 -59.98 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -40.37 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.45 65.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.443 ' CG2' HG12 ' A' ' 58' ' ' ILE . 55.8 mt -73.43 -63.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -48.98 -39.08 25.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -53.75 38.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -51.71 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.9 t -54.65 -35.6 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.36 -14.59 82.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -87.9 -12.92 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.82 121.05 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -65.59 99.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.12 -12.36 3.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' HA ' ' CB ' ' A' ' 44' ' ' PHE . 30.7 t -91.7 134.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 4.7 tttt -99.22 -47.81 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 5.0 mmmt -131.34 156.56 45.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 p -155.29 151.22 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.72 166.82 32.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' A' ' 40' ' ' ALA . 76.8 t -153.33 141.72 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 6.8 mm-40 -119.78 120.33 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 15.0 tp -67.12 -46.53 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -85.06 42.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -145.96 -39.04 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.8 mt-10 70.64 29.98 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -153.26 137.54 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.477 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -105.44 152.35 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.43 147.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG2' HG21 ' A' ' 28' ' ' VAL . 11.6 p -133.77 152.65 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -129.32 65.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -115.2 -176.87 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -21.05 54.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.18 8.67 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.46 -46.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 50' ' ' GLN . 60.6 t -135.57 166.69 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 49' ' ' VAL . 4.2 mm100 -117.61 141.74 48.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.69 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.64 -39.04 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.99 92.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.417 HG23 ' CE2' ' A' ' 4' ' ' PHE . 73.4 mt -62.58 -38.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -42.14 97.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 108.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -58.29 -40.04 80.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.64 -34.81 74.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.473 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 5.8 mt -72.04 -49.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -65.05 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -14.84 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.8 mt -78.64 -72.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.12 39.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.93 -173.94 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.7 tp60 -105.82 129.95 53.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.473 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -146.05 127.53 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -126.2 150.85 48.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.471 ' C ' ' CD1' ' A' ' 68' ' ' ILE . 87.9 t -84.92 122.58 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.471 ' CD1' ' C ' ' A' ' 67' ' ' VAL . 1.8 mp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.73 140.63 49.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 pt-20 -93.79 152.0 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 1.3 m-85 -137.24 128.5 27.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.5 t -82.52 130.62 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 11.1 t -110.82 123.07 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -122.65 48.34 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.85 24.4 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.95 151.14 37.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.4 -0.35 6.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.972 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 57.68 -152.31 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.49 ' N ' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER 67.54 -71.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -142.09 9.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.6 m -68.46 -59.24 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.0 t -36.98 -50.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.0 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -45.51 -40.88 9.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.443 ' CG2' HD11 ' A' ' 58' ' ' ILE . 59.8 mt -72.93 -61.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.55 -50.41 23.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.29 -49.0 73.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -55.51 -39.53 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.477 ' CG2' HD11 ' A' ' 58' ' ' ILE . 78.8 t -73.29 -31.56 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.483 ' HA2' ' CG1' ' A' ' 28' ' ' VAL . . . -81.49 6.61 64.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.31 -16.67 23.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.576 ' CD1' ' CG2' ' A' ' 54' ' ' ILE . 12.9 mt -64.27 124.12 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -65.49 94.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.44 -15.74 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 ' CG1' ' HA2' ' A' ' 23' ' ' GLY . 1.2 p -77.54 142.49 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HG2' ' CG ' ' A' ' 30' ' ' LYS . 24.4 tttp -111.85 -46.76 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 29' ' ' LYS . 1.7 mttp -135.3 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -156.39 146.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -154.73 165.29 37.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -139.76 144.41 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.79 97.06 6.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 29.8 tp -61.01 163.72 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.79 19.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -128.07 -45.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 39' ' ' LYS . 13.5 mt-10 81.64 43.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.257 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.04 153.57 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.59 140.04 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -112.24 152.06 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.591 HG13 ' CD2' ' A' ' 44' ' ' PHE . 95.1 t -146.8 157.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -134.89 76.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -111.99 -179.63 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . 49.0 t0 -93.6 123.37 36.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -78.03 -4.71 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.0 -25.88 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -115.03 -67.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.533 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 8.4 p -84.75 164.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -112.23 -101.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.14 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.435 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.27 -36.59 83.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -34.74 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.691 ' CD1' ' CE2' ' A' ' 44' ' ' PHE . 93.9 mt -66.11 -36.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -41.43 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -36.33 63.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.66 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 22' ' ' VAL . 17.4 mm -68.9 -53.16 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -62.71 -26.41 68.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.26 -11.78 34.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.8 mt -86.18 -77.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.81 37.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.16 -173.59 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.41 142.87 34.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.437 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.78 126.29 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.9 mt-10 -124.84 117.77 24.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 52' ' ' THR . 10.9 t -67.67 131.79 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.511 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 77.86 112.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -88.45 164.49 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -129.01 126.98 40.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -79.81 128.05 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 2.8 t -98.4 125.93 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -125.18 44.54 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.95 25.66 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -73.9 143.15 45.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.19 -18.88 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.8 OUTLIER 87.8 -154.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.344 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.7 m120 80.43 -67.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.413 ' NE2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -162.76 27.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.9 m -67.05 -56.98 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.9 t -39.49 -49.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.14 -59.18 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -46.17 -43.98 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.71 -59.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.36 -49.02 65.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.33 -45.28 84.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -55.61 -38.24 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.7 t -73.47 -51.28 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.4 -22.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -15.17 60.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.468 ' CG2' HG21 ' A' ' 49' ' ' VAL . 28.7 mm -70.69 111.68 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -60.39 100.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.77 -13.22 2.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.11 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 42' ' ' VAL . 5.7 t -90.13 128.57 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -91.22 -49.04 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.56 153.18 51.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG2' HG21 ' A' ' 42' ' ' VAL . 2.3 p -156.42 148.39 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -148.67 164.33 34.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -149.54 140.72 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 21.5 mp0 -123.3 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.13 -48.35 68.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -83.56 42.2 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 7.6 tttt -146.52 -37.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 71.25 35.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.04 151.17 28.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.7 128.26 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 14.7 p -97.87 147.17 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG13 ' CD1' ' A' ' 44' ' ' PHE . 86.0 t -143.75 144.04 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' N ' HG11 ' A' ' 42' ' ' VAL . 7.9 tttp -118.72 81.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.56 ' CD1' HG13 ' A' ' 42' ' ' VAL . 10.3 p90 -130.14 172.51 11.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.491 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . 17.6 t0 -99.22 138.45 36.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 1.6 tt0 -76.69 -4.06 41.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 -28.06 25.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -100.9 -53.65 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 25' ' ' ILE . 25.9 t -133.7 144.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -106.03 150.2 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.3 -47.83 75.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.1 -40.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -46.52 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.27 -39.15 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.39 -42.82 74.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -57.53 -45.97 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -34.33 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.48 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 23.5 mt -73.3 -58.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -55.07 -30.7 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.3 -11.16 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' CB ' ' CE2' ' A' ' 63' ' ' TYR . 24.2 mt -79.46 -28.77 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.488 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 115.24 17.93 6.48 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' CB ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -124.65 -171.26 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -105.05 137.93 42.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -143.29 136.08 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 0.4 OUTLIER -141.97 127.97 19.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.97 136.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 66' ' ' GLU . 1.5 mp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.43 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 11.2 tp60 -136.71 163.68 30.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.7 OUTLIER -133.65 135.85 44.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.568 ' CE2' HG23 ' A' ' 54' ' ' ILE . 0.6 OUTLIER -116.33 132.34 56.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.473 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 1.9 t -85.51 126.64 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.033 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 38' ' ' GLU . 5.1 p -99.28 131.63 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -138.37 50.63 1.88 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 25.79 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -75.84 145.4 40.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 83.4 p -106.41 -41.84 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 96.5 58.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.46 -80.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -130.26 12.17 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' ' 63' ' ' TYR . 36.1 m -65.92 -57.68 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 33' ' ' VAL . 3.3 t -39.68 -49.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.58 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -49.48 7.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.34 -55.54 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 1.6 tm-20 -53.28 -50.39 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 19' ' ' GLU . 1.3 tt0 -65.24 -45.23 85.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.05 -36.19 38.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.493 ' CG1' HG21 ' A' ' 31' ' ' VAL . 29.1 t -72.28 -64.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.69 -20.44 2.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -31.83 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 5.7 mt -64.11 121.38 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.455 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 21.1 t -63.64 96.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.02 -21.68 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG12 ' CG1' ' A' ' 22' ' ' VAL . 51.7 t -87.26 120.78 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.39 -51.85 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -137.9 153.26 49.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.493 HG21 ' CG1' ' A' ' 22' ' ' VAL . 3.0 p -156.51 155.41 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 3.3 ttpp -154.86 164.25 39.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 15' ' ' VAL . 4.8 p -134.8 145.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.14 106.32 10.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 36.6 tp -62.51 160.09 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 1.3 tttp 57.96 16.42 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -119.45 -34.92 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HA ' ' CG1' ' A' ' 6' ' ' VAL . 58.1 mt-10 67.77 33.78 4.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -151.23 144.25 24.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.83 137.05 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 4.6 p -95.14 134.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG13 ' CZ ' ' A' ' 4' ' ' PHE . 11.1 p -124.31 148.51 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' LYS . 53.1 tttt -129.04 73.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.411 ' CD1' HG12 ' A' ' 42' ' ' VAL . 19.6 p90 -121.88 -163.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -143.36 144.94 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -5.91 46.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -18.71 42.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.62 -53.29 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 26' ' ' SER . 24.8 t -147.05 155.54 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -97.9 146.22 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.93 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.4 t -47.64 -46.22 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -66.59 -35.42 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 4' ' ' PHE . 65.1 mt -62.86 -37.9 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -41.71 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.97 74.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.83 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 65' ' ' ALA . 3.4 mt -73.78 -57.19 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -55.92 -29.11 59.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.88 -11.0 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.8 mt -84.52 -76.03 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.55 40.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -145.11 -171.46 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 110.976 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.95 129.86 54.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.474 ' HB1' ' CG2' ' A' ' 58' ' ' ILE . . . -137.92 135.74 36.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.48 131.35 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.79 134.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 5' ' ' SER . 1.6 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.872 ' O ' HG12 ' A' ' 42' ' ' VAL . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.439 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt-20 -134.45 159.47 40.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.769 ' CZ ' HG11 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -137.48 146.53 44.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.817 ' HB2' HD11 ' A' ' 68' ' ' ILE . 1.9 t -97.6 132.19 43.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 57.4 t -104.71 128.92 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -129.01 46.7 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.78 24.12 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 ttm -75.11 153.34 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 58.6 m -118.21 -36.1 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.608 ' SG ' HD21 ' A' ' 35' ' ' LEU . 6.0 t 87.61 53.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.63 69.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 t60 77.6 0.3 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.641 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' VAL . 22.8 m -65.99 -59.02 4.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.488 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.8 t -40.6 -49.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.28 -56.73 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.7 -48.16 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.98 ' O ' HG23 ' A' ' 22' ' ' VAL . 50.7 mt -63.54 -57.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -49.35 -53.62 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.75 -45.37 86.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.33 -35.83 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 18' ' ' ILE . 48.2 t -73.09 -54.01 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' N ' HG11 ' A' ' 31' ' ' VAL . . . -52.84 -18.93 6.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -18.83 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.609 ' CD1' HG23 ' A' ' 54' ' ' ILE . 13.6 mt -64.33 113.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 31.2 t -59.41 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.05 -18.64 1.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.874 HG22 ' HB3' ' A' ' 44' ' ' PHE . 6.4 t -87.93 130.76 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -84.59 -48.18 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.07 141.2 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 41' ' ' VAL . 1.7 p -136.76 151.59 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -140.09 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.488 ' HB ' HG13 ' A' ' 15' ' ' VAL . 56.8 t -142.22 139.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -118.42 107.3 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD21 ' SG ' ' A' ' 11' ' ' CYS . 63.8 tp -65.27 161.78 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' H ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER 58.1 15.82 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 11.5 tttt -120.81 -35.86 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 13.5 mt-10 69.02 41.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.57 145.0 21.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.71 134.86 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 p -98.3 133.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 2' ' ' GLN . 11.8 p -122.29 145.8 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -126.25 74.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.874 ' HB3' HG22 ' A' ' 28' ' ' VAL . 29.6 p90 -120.59 -163.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.465 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 5.2 t0 -143.16 144.75 32.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.16 -12.35 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 6.58 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.28 -51.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 25' ' ' ILE . 28.8 t -150.42 159.21 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 2.2 mp0 -103.48 145.5 29.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.736 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -55.99 -44.85 79.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -46.49 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -36.69 84.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 51' ' ' ALA . 52.1 mt -62.08 -36.92 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.754 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -59.97 -42.56 94.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tp60 -58.67 -45.5 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HB3' HD11 ' A' ' 25' ' ' ILE . . . -54.67 -29.26 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.7 mt -78.31 -48.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -65.19 -28.03 69.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -65.51 -9.6 27.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.9 mt -81.17 -77.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.66 39.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.13 -174.16 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.9 tt0 -105.28 111.85 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -120.2 141.89 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -151.51 132.86 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG23 ' SG ' ' A' ' 55' ' ' CYS . 90.7 t -63.99 123.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 5' ' ' SER . 97.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.552 ' HG2' HG13 ' A' ' 67' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.49 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 3.8 pt-20 -94.88 161.05 14.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -136.06 151.08 49.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.508 ' CA ' HD11 ' A' ' 68' ' ' ILE . 1.8 t -98.4 131.19 44.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 t -100.68 136.32 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' GLN . 3.7 mttt -135.6 162.57 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.42 -14.84 21.06 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.418 ' CG ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -63.68 147.07 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.736 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 25.0 p -145.01 16.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 90.48 -134.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 67.15 19.32 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 87.98 21.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' CG ' ' A' ' 9' ' ' MET . 9.9 m -66.66 -50.37 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.59 -48.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.15 -58.39 6.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -45.22 -49.0 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' VAL . 63.6 mt -62.63 -55.62 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.63 -53.92 21.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -65.29 -47.99 74.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.1 -34.11 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.671 ' CG1' HG21 ' A' ' 31' ' ' VAL . 21.1 t -75.0 -34.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -3.66 54.36 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -89.02 -15.95 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.507 HD13 HG12 ' A' ' 54' ' ' ILE . 13.8 mt -65.13 108.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -57.95 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.74 -14.05 2.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 44' ' ' PHE . 25.0 t -83.87 131.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -47.49 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.08 145.02 50.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.671 HG21 ' CG1' ' A' ' 22' ' ' VAL . 2.4 p -149.25 144.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 6.1 tttt -155.02 167.24 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.544 HG22 ' CB ' ' A' ' 40' ' ' ALA . 79.5 t -150.6 133.06 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 89.5 mm-40 -108.91 122.31 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tp -67.28 -48.51 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.48 43.36 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -147.1 -37.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.7 mt-10 71.41 33.71 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -151.24 160.51 43.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 10.3 p -98.52 144.42 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.757 HG12 ' HD1' ' A' ' 44' ' ' PHE . 80.4 t -145.44 141.91 22.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -127.03 85.64 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.757 ' HD1' HG12 ' A' ' 42' ' ' VAL . 16.1 p90 -120.47 -179.95 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -96.55 132.86 41.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.77 -23.92 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.11 13.0 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.28 -53.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.7 t -134.68 160.01 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 36.4 mm-40 -113.09 147.18 37.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -55.57 -46.12 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 t -51.01 -42.31 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.04 93.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.59 HD13 HG11 ' A' ' 42' ' ' VAL . 70.8 mt -60.64 -36.83 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.568 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -63.19 -41.78 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -58.9 -44.81 91.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.18 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.5 mt -79.74 -46.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -65.04 -30.03 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.3 tt0 -65.15 -9.75 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.2 mt -82.02 -76.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 167.82 39.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.37 166.75 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.2 tp60 -90.46 91.76 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -106.7 140.27 39.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.43 ' CA ' ' SG ' ' A' ' 55' ' ' CYS . 2.8 pt-20 -154.5 143.75 21.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 2' ' ' GLN . 88.4 t -64.2 132.88 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.508 HD11 ' CA ' ' A' ' 5' ' ' SER . 57.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.508 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 13.3 pt-20 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.3 138.36 53.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.679 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.1 t -93.73 133.74 36.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 64' ' ' GLN . 77.6 t -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.19 48.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.71 27.09 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.408 ' CE ' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -75.37 157.68 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -109.65 -29.91 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 7.2 t 83.04 133.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.7 m-20 81.09 95.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.523 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER 89.4 -29.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 10' ' ' SER . 18.8 m -63.93 -58.59 6.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.33 -48.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.53 -53.9 35.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -44.65 -48.72 10.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.607 HG23 HG12 ' A' ' 58' ' ' ILE . 63.0 mt -63.73 -59.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -53.74 21.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.41 97.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -53.92 -38.43 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.811 ' HB ' HG21 ' A' ' 31' ' ' VAL . 71.9 t -75.34 -50.72 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.13 -23.5 17.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -17.11 60.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.3 mm -68.78 114.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -64.93 96.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.68 -16.72 2.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.6 t -78.8 134.15 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -96.27 -46.47 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -135.79 156.67 48.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.811 HG21 ' HB ' ' A' ' 22' ' ' VAL . 2.9 p -155.17 143.5 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 ttmm -150.06 166.14 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 32' ' ' LYS . 39.2 t -155.22 133.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.7 mp0 -115.81 120.04 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -67.21 -47.73 70.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.1 42.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -146.79 -36.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.9 mt-10 72.52 19.66 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -135.74 157.59 46.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -124.64 138.28 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.28 138.99 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 31' ' ' VAL . 39.7 t -143.87 153.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -131.08 95.31 3.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 1.5 p90 -130.02 177.56 7.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.94 131.88 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -75.64 -24.4 56.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 12.08 10.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.64 -51.2 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.8 t -134.74 149.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' NE2' ' HG2' ' A' ' 46' ' ' GLU . 9.5 mm-40 -108.97 145.79 34.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.576 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.26 -45.23 80.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.67 -41.19 42.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -43.08 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -43.0 99.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -38.91 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.79 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.607 HG12 HG23 ' A' ' 18' ' ' ILE . 10.1 mt -68.7 -55.07 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -60.97 -28.48 69.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.13 -12.27 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.5 mt -83.75 -76.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.72 38.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.03 177.71 8.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 0.717 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.53 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.15 133.41 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.495 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -143.06 153.76 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -155.07 134.26 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.489 ' C ' HD12 ' A' ' 68' ' ' ILE . 80.1 t -69.1 137.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.679 HD13 ' HB3' ' A' ' 5' ' ' SER . 1.5 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.49 ' OE1' HG22 ' A' ' 67' ' ' VAL . 1.9 mm-40 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -134.05 153.9 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.616 ' CD2' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -127.76 129.07 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -85.1 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 45.2 t -104.42 137.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -139.58 44.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.74 25.39 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.28 146.81 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -110.23 -37.84 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.5 t 88.64 156.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.32 78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 89.61 -16.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.9 m -65.88 -58.9 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.864 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -42.45 -48.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -54.98 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.51 -43.98 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.0 mt -67.3 -62.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' OE1' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.33 -49.2 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -65.3 -45.42 84.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -57.76 -44.0 85.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.694 ' CG1' HG21 ' A' ' 31' ' ' VAL . 25.1 t -74.1 -40.87 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.95 -13.16 46.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -85.93 -12.85 49.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.74 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.967 ' CG2' HG21 ' A' ' 49' ' ' VAL . 31.4 mm -67.92 122.27 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -65.38 107.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.63 -21.11 4.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.532 HG13 ' CG2' ' A' ' 42' ' ' VAL . 48.6 t -82.09 121.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 1.9 tttm -85.48 -54.37 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 10.1 mmtt -131.57 151.94 51.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.694 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.1 p -156.54 148.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.86 164.43 38.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.864 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.5 p -138.05 141.05 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 15.5 mm-40 -118.58 121.34 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.24 -46.66 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.27 41.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.8 tttt -146.29 -39.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.0 mt-10 70.98 29.25 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.2 138.92 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -101.06 136.85 40.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 t -103.8 129.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.573 HG11 ' HZ ' ' A' ' 4' ' ' PHE . 12.2 p -120.32 153.34 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' LYS . 7.0 tttm -126.76 67.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.651 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 29.4 p90 -113.86 -162.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' VAL . 9.9 t0 -142.92 142.58 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -8.34 55.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 5.17 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.27 -53.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.967 HG21 ' CG2' ' A' ' 25' ' ' ILE . 9.1 p -138.27 150.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.88 143.71 34.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.57 -42.77 34.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -37.56 86.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.463 HG23 HG22 ' A' ' 22' ' ' VAL . 33.3 mt -60.18 -38.74 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.18 -41.94 85.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.86 -42.61 99.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.44 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 11.5 mt -67.52 -50.4 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.42 -27.46 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 mm-40 -65.19 -9.97 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.9 mt -81.29 -76.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.72 39.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.96 -176.52 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.29 118.25 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -133.61 149.41 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' SER . 8.5 mm-40 -154.97 131.13 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -68.97 123.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 67' ' ' VAL . 1.4 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.671 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.533 ' N ' ' HG3' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -130.49 153.52 48.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.576 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -128.59 147.43 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -100.19 128.67 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 64' ' ' GLN . 29.1 t -103.68 143.62 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -143.86 42.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.87 23.19 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.473 ' SD ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.06 153.06 39.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 0.789 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 57.0 m -112.48 -22.81 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.7 OUTLIER 86.66 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.33 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.5 m120 78.77 -67.18 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -157.51 25.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.3 m -66.39 -56.12 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.344 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.697 HG22 HG12 ' A' ' 33' ' ' VAL . 2.7 t -41.74 -49.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.43 -49.99 67.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.65 -47.42 70.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 22' ' ' VAL . 48.6 mt -68.05 -52.17 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -52.68 -53.5 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -64.27 -44.74 90.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -58.51 -42.96 88.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 18' ' ' ILE . 60.5 t -67.03 -54.56 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.82 -19.92 3.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -13.75 60.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 16.3 mt -68.18 117.61 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.8 t -64.8 108.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.06 -20.19 4.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.665 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.7 t -80.52 125.95 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -49.7 7.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -135.52 159.56 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 42' ' ' VAL . 5.0 p -155.59 152.0 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.58 167.86 29.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.697 HG12 HG22 ' A' ' 15' ' ' VAL . 78.1 t -155.23 141.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 17.5 mp0 -124.24 117.5 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.6 tm? -66.63 -45.17 79.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.63 41.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -145.52 -43.58 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 37' ' ' LYS . 2.0 mt-10 79.09 28.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -150.99 140.24 21.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.486 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -104.92 138.47 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 t -104.77 133.46 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.817 HG22 HG23 ' A' ' 31' ' ' VAL . 98.1 t -137.38 144.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -124.94 95.95 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.665 ' HB3' HG22 ' A' ' 28' ' ' VAL . 2.4 p90 -135.22 178.5 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 49' ' ' VAL . 62.4 t0 -95.72 124.87 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.22 -5.32 46.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.54 -32.53 28.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -107.33 -70.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 45' ' ' ASP . 36.6 t -88.7 154.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.78 156.44 43.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.671 ' HB2' ' OE1' ' A' ' 2' ' ' GLN . . . -56.88 -37.16 70.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.77 -45.86 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 22' ' ' VAL . 18.0 mt -65.57 -39.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.56 ' HG ' ' HD2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -66.46 -44.25 83.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 108.312 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.65 -50.41 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.93 -32.78 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.626 HG21 ' HB2' ' A' ' 65' ' ' ALA . 52.2 mt -73.49 -65.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -52.79 -26.99 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.1 tt0 -65.0 -11.53 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.5 mt -84.06 -76.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.22 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.71 -173.37 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.644 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -106.59 134.74 49.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.22 133.33 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 mt-10 -125.79 142.07 51.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 68' ' ' ILE . 98.6 t -76.14 119.58 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 67' ' ' VAL . 1.5 mp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 15.2 pt-20 -105.23 164.75 11.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.703 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -133.88 129.97 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.448 ' N ' HD11 ' A' ' 68' ' ' ILE . 3.3 t -79.51 128.43 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 64' ' ' GLN . 27.3 t -107.35 116.43 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -113.03 49.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.43 24.82 0.22 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -75.38 158.23 33.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 11.8 m -113.25 -23.18 10.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.74 ' SG ' HD21 ' A' ' 35' ' ' LEU . 18.7 t 68.47 67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.522 ' OD1' ' CB ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -166.65 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -122.21 -1.43 9.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.569 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' VAL . 17.5 m -66.77 -59.34 3.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.794 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -36.88 -50.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.24 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -44.91 -45.54 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.42 -58.77 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.42 -43.83 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.53 -47.72 74.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.77 -56.24 14.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.597 ' CG1' HG21 ' A' ' 31' ' ' VAL . 68.0 t -54.35 -33.44 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.528 ' HA2' HG11 ' A' ' 31' ' ' VAL . . . -75.51 -19.54 79.23 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -9.7 58.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.0 113.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -65.16 96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.51 -13.25 2.73 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' A' ' 44' ' ' PHE . 9.0 t -85.46 124.14 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -49.86 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -132.38 148.24 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.597 HG21 ' CG1' ' A' ' 22' ' ' VAL . 1.5 p -155.49 140.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 164.25 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.794 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -138.93 142.74 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.19 106.93 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.74 HD21 ' SG ' ' A' ' 11' ' ' CYS . 38.3 tp -63.01 155.75 26.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt 63.39 9.87 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -117.5 -34.91 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 5' ' ' SER . 5.5 mt-10 68.85 35.47 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -144.09 144.58 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.651 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -130.35 131.62 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.06 145.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.757 HG12 ' HD1' ' A' ' 44' ' ' PHE . 72.7 t -143.19 140.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -124.71 86.13 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.757 ' HD1' HG12 ' A' ' 42' ' ' VAL . 15.8 p90 -122.08 -179.83 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -96.61 131.27 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.44 -23.13 56.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 14.08 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.22 -52.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.61 158.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -116.06 144.12 44.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.581 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.75 -43.66 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.83 -40.67 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -45.43 84.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.58 HD13 HG11 ' A' ' 42' ' ' VAL . 84.9 mt -58.89 -37.59 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.651 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.1 -41.35 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.4 tp-100 -65.51 -42.64 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -21.64 66.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.797 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 29.5 mt -76.33 -63.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.492 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 5.0 p30 -65.36 -28.55 69.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.3 mm-40 -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 10.6 mt -77.7 -74.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 178.72 35.98 0.06 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.22 -171.0 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 6' ' ' VAL . 1.5 tt0 -105.16 154.56 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.797 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -146.28 141.0 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.5 OUTLIER -143.18 114.96 8.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.651 HG23 ' SG ' ' A' ' 55' ' ' CYS . 70.8 t -64.9 130.87 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 7.6 pt-20 -105.95 157.72 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.713 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -136.39 131.62 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 65' ' ' ALA . 2.2 t -78.97 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 86.2 t -146.77 141.59 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -155.12 48.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.03 26.6 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.684 ' SD ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.78 144.79 41.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 28.0 m -116.69 -32.45 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 92.07 -147.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 1.9 m-80 66.35 33.12 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.536 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 90.07 16.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.605 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m -66.63 -52.88 40.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.0 t -39.86 -49.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -43.38 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.6 mt -69.93 -60.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -45.51 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.52 -53.24 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.25 83.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 25' ' ' ILE . 50.3 t -55.44 -39.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA2' HG11 ' A' ' 28' ' ' VAL . . . -62.14 -11.43 32.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -81.92 -7.65 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.714 ' CD1' HG23 ' A' ' 54' ' ' ILE . 18.8 mt -65.33 114.12 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 49' ' ' VAL . 6.1 t -65.16 96.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.02 -7.01 4.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.613 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -83.56 136.4 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -45.72 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -137.32 156.48 48.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 42' ' ' VAL . 2.1 p -149.09 145.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -155.16 169.53 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' LYS . 3.7 t -151.91 154.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 4.7 mt-30 -136.04 104.95 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.684 HD12 ' SD ' ' A' ' 9' ' ' MET . 1.3 tt -67.68 -45.37 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 39.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 2.6 tttt -147.46 -43.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 3.4 mt-10 84.83 34.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HE2' ' CE ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -154.3 171.29 19.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -140.49 150.35 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.9 t -122.17 139.27 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.613 ' CG1' ' CG2' ' A' ' 28' ' ' VAL . 76.8 t -143.72 142.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -114.68 99.78 7.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 51' ' ' ALA . 45.0 p90 -129.7 -161.82 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 47' ' ' ALA . 20.1 t0 -141.06 140.37 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -13.64 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -84.72 8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -52.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.52 HG11 ' CG2' ' A' ' 25' ' ' ILE . 25.6 t -145.66 156.76 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -106.2 147.51 28.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -55.64 -45.45 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -42.6 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -39.3 90.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.714 HG23 ' CD1' ' A' ' 25' ' ' ILE . 87.6 mt -58.4 -36.46 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -61.71 -42.39 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.292 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tm0? -59.7 -39.19 83.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.36 -29.67 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.466 HG21 ' HB2' ' A' ' 65' ' ' ALA . 10.8 mt -78.43 -53.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.87 -25.67 68.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -65.3 -9.96 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.7 mt -84.71 -78.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.498 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -145.25 -179.53 6.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 3.8 tt0 -106.59 132.2 52.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 5' ' ' SER . . . -145.35 128.26 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 5' ' ' SER . 13.9 mm-40 -115.25 117.97 31.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.62 HG23 ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -65.64 131.74 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.449 ' C ' HG12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -132.49 166.54 21.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -146.06 126.0 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.529 ' N ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -85.13 127.96 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 92.9 t -99.16 125.56 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -122.38 44.8 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.78 24.9 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.504 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -73.55 161.46 30.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.607 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 70.3 m -115.07 -25.45 8.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.813 ' SG ' HD21 ' A' ' 35' ' ' LEU . 3.6 t 96.57 -16.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.465 ' C ' ' H ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER -74.12 -141.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.26 22.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 12' ' ' ASN . 10.3 m -66.53 -55.14 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.762 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -42.26 -48.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.64 86.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -37.93 64.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.851 ' O ' HG23 ' A' ' 22' ' ' VAL . 49.2 mt -75.09 -60.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -44.86 -50.58 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.28 -53.32 45.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.6 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 18' ' ' ILE . 97.4 t -75.55 -49.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -12.7 28.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -77.12 -18.7 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.584 HG21 HG11 ' A' ' 49' ' ' VAL . 13.2 mt -69.14 117.26 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -65.51 92.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.4 -19.7 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.7 t -79.44 123.56 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -51.11 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.07 156.02 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 HG22 ' A' ' 42' ' ' VAL . 3.9 p -155.29 150.71 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.1 tptt -155.75 165.78 35.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.762 ' CG1' HG13 ' A' ' 15' ' ' VAL . 13.2 t -140.19 151.36 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.13 106.27 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.813 HD21 ' SG ' ' A' ' 11' ' ' CYS . 15.0 tp -65.11 162.03 17.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 57.99 15.98 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 6.8 tttt -121.13 -37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 70.7 36.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -150.71 145.92 26.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.81 145.2 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 8.5 p -109.63 147.77 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.785 HG22 HG23 ' A' ' 31' ' ' VAL . 76.4 t -145.66 149.67 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -123.51 69.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' HB3' HG22 ' A' ' 28' ' ' VAL . 48.8 p90 -99.28 -168.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 49' ' ' VAL . 24.0 t0 -142.41 139.39 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG2' ' A' ' 50' ' ' GLN . 1.5 tt0 -70.14 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.81 5.45 24.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.25 -55.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.584 HG11 HG21 ' A' ' 25' ' ' ILE . 25.0 t -146.63 162.88 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.9 mt-30 -113.92 158.62 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.855 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -56.3 -38.42 71.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.3 t -52.71 -45.56 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -65.98 -39.15 90.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 51' ' ' ALA . 7.6 mt -62.8 -37.0 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.505 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -61.74 -42.49 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.27 -47.68 78.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.66 -35.78 22.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.914 HG21 ' HB2' ' A' ' 65' ' ' ALA . 26.3 mt -70.78 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -51.3 -26.56 7.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLN . 18.2 tt0 -65.3 -10.08 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.0 mt -88.55 -78.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.25 39.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.1 -172.66 3.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.26 141.22 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.914 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.53 137.71 25.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -148.62 128.19 13.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.643 HG22 ' CD2' ' A' ' 4' ' ' PHE . 71.6 t -67.2 155.01 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.578 ' N ' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 11.8 pt-20 -106.35 160.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 1.3 m-85 -138.07 131.65 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.725 ' H ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -78.23 132.82 37.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.517 HG11 ' CE ' ' A' ' 9' ' ' MET . 23.3 t -86.35 143.78 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 64' ' ' GLN . 11.3 mttt -155.77 155.04 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.34 7.22 24.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.517 ' CE ' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -71.57 157.02 38.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 3.4 m -114.01 -29.53 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.653 ' SG ' HD22 ' A' ' 35' ' ' LEU . 5.7 t 88.56 -5.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.12 72.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 68.13 8.65 6.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' VAL . 18.3 m -66.77 -58.44 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.654 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.6 -51.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -55.52 15.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -45.12 -43.72 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.487 HG23 HG12 ' A' ' 58' ' ' ILE . 41.1 mt -66.44 -64.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.726 ' HG2' HG22 ' A' ' 31' ' ' VAL . 2.5 tt0 -49.03 -32.98 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -60.55 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.14 87.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.56 -32.66 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -79.37 -18.89 72.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.85 -5.94 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 110.228 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.96 113.91 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -64.85 95.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.85 -13.57 2.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.1 132.64 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.249 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -46.29 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -141.17 156.16 45.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.726 HG22 ' HG2' ' A' ' 19' ' ' GLU . 2.5 p -145.46 144.75 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.557 ' O ' HG23 ' A' ' 33' ' ' VAL . 9.7 tptt -152.65 163.97 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.654 ' CG1' HG13 ' A' ' 15' ' ' VAL . 13.3 t -155.77 124.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 35.9 mm-40 -112.81 119.96 39.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.653 HD22 ' SG ' ' A' ' 11' ' ' CYS . 32.8 tp -67.46 -47.1 71.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 42.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 12.9 tttt -145.62 -37.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 70.98 31.07 2.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.01 143.31 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.05 140.6 38.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' LYS . 1.5 t -109.53 123.35 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.868 HG12 ' CD1' ' A' ' 44' ' ' PHE . 74.6 t -135.83 137.89 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -115.43 100.35 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.868 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -131.27 169.23 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.1 -22.49 58.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.78 14.91 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.44 -56.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.2 t -134.56 160.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 17.1 mm-40 -108.39 142.7 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -57.34 -42.12 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.17 -42.95 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -32.96 74.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.72 -38.64 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.57 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -65.18 -43.12 92.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.252 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -36.29 76.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -27.04 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.037 HG21 ' HB2' ' A' ' 65' ' ' ALA . 5.4 mt -78.32 -51.89 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -60.05 -28.58 67.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -9.85 25.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.1 mt -89.72 -77.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.23 39.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -142.34 -164.26 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -133.2 109.73 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -111.61 117.3 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -97.3 141.93 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.602 ' C ' HD13 ' A' ' 68' ' ' ILE . 88.5 t -86.38 137.35 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.725 HD11 ' H ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.12 161.01 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.666 ' CD2' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -131.86 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.838 ' HB2' HD11 ' A' ' 68' ' ' ILE . 1.7 t -95.08 130.89 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 64' ' ' GLN . 92.1 t -106.1 126.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -122.36 51.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.28 26.63 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.459 ' HE3' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -71.0 148.09 47.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 2.3 m -122.1 -39.43 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.7 t 93.08 170.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m-20 80.48 66.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 74.91 5.95 4.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 m -66.15 -54.82 20.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -46.2 -49.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.0 -47.66 76.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -43.69 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -74.27 -63.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.98 -35.36 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -62.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.29 89.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.452 HG13 HG23 ' A' ' 54' ' ' ILE . 97.9 t -61.0 -32.54 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.61 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -80.91 -20.88 64.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 24' ' ' ARG . 21.3 ttp180 -84.03 -5.56 59.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.787 ' CG2' HG21 ' A' ' 49' ' ' VAL . 35.6 mm -64.56 118.29 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -64.47 101.04 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.49 -16.41 3.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 54' ' ' ILE . 96.1 t -85.75 124.44 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -84.87 -49.43 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -134.26 151.52 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.61 HG11 ' CA ' ' A' ' 23' ' ' GLY . 2.6 p -147.43 149.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 33' ' ' VAL . 6.7 tttp -155.54 165.57 36.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG22 ' CB ' ' A' ' 40' ' ' ALA . 56.9 t -155.67 144.52 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 16.5 mp0 -127.54 118.46 24.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.545 HD11 ' SG ' ' A' ' 11' ' ' CYS . 7.9 tt -67.11 -49.52 64.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.63 43.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.4 tttm -146.95 -37.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 4.1 mt-10 71.17 33.43 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -154.08 152.79 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.499 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -124.36 146.56 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.0 t -116.77 148.92 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 54' ' ' ILE . 75.7 t -145.19 143.65 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -118.92 75.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.622 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 27.5 p90 -117.58 -165.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.479 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 26.9 t0 -142.39 139.49 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -6.88 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.6 -15.05 50.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -120.47 -54.71 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' CG2' ' A' ' 25' ' ' ILE . 8.1 p -136.39 151.92 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -104.38 144.35 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.51 -44.63 80.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -39.1 52.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -42.6 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.652 ' CD1' HG11 ' A' ' 42' ' ' VAL . 34.9 mt -60.17 -39.77 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -42.55 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 5.2 tp60 -62.2 -44.45 96.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.42 -41.93 69.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.772 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 32.7 mt -62.4 -54.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -63.6 -24.33 67.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLN . 27.4 tt0 -65.11 -10.36 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.7 mt -88.38 -76.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.98 37.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.33 -172.68 3.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.482 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.67 143.49 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.772 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.93 141.29 27.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' SER . 3.4 mt-10 -155.38 132.28 10.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.666 HG22 ' CD2' ' A' ' 4' ' ' PHE . 91.3 t -63.97 127.3 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.838 HD11 ' HB2' ' A' ' 5' ' ' SER . 98.4 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.1 pm0 -96.77 172.85 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.14 130.13 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.814 ' N ' HD11 ' A' ' 68' ' ' ILE . 2.1 t -84.24 134.85 34.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 21.8 t -110.15 122.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -121.42 45.97 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 25.13 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.672 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.02 140.54 43.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 6.2 m -113.66 -22.97 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 88.99 -146.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.04 -68.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -157.93 24.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.8 m -67.02 -56.87 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.867 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -40.1 -49.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.33 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.381 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -55.37 -46.82 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 53.4 mt -65.59 -53.17 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' OE2' HG13 ' A' ' 31' ' ' VAL . 7.4 tm-20 -55.97 -51.14 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -39.91 92.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -61.48 -49.93 74.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.816 ' HB ' HG21 ' A' ' 31' ' ' VAL . 61.8 t -68.77 -31.61 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.57 -7.41 61.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -13.75 28.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.8 mm -67.4 117.57 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -65.15 102.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -20.6 3.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.5 t -76.27 132.58 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -45.16 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -144.89 141.84 29.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.816 HG21 ' HB ' ' A' ' 22' ' ' VAL . 1.8 p -147.06 142.62 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -155.53 163.6 39.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.867 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.4 p -142.45 153.59 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.1 mm-40 -126.83 124.12 38.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.672 HD13 ' CE ' ' A' ' 9' ' ' MET . 40.1 tp -66.91 -49.14 66.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.37 43.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.1 tttt -147.06 -38.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.4 mt-10 70.96 30.5 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -154.48 158.22 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -124.44 148.15 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -115.77 144.66 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.708 HG22 HG23 ' A' ' 31' ' ' VAL . 94.7 t -145.14 156.46 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -133.52 73.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD1' HG13 ' A' ' 49' ' ' VAL . 23.9 p90 -104.19 -179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -96.48 123.21 40.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 2.5 tt0 -79.09 -5.3 53.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.55 -1.89 57.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.9 -69.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 44' ' ' PHE . 10.3 p -95.41 152.84 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.45 155.69 38.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' ' CE2' ' A' ' 4' ' ' PHE . . . -57.65 -35.69 70.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -39.04 62.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -42.22 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.485 HD12 ' CE2' ' A' ' 44' ' ' PHE . 96.6 mt -61.54 -38.69 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.512 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.24 -44.68 95.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.02 71.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.8 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 8.6 mt -66.43 -51.55 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -65.42 -23.5 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -65.1 -10.32 29.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.526 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 13.7 mt -88.89 -76.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.57 39.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.02 -171.04 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.15 140.13 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.8 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.77 124.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -127.89 147.52 50.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.504 ' C ' HD13 ' A' ' 68' ' ' ILE . 70.1 t -85.92 148.96 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.814 HD11 ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.504 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 12.5 pt-20 -105.61 167.75 9.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.781 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 0.6 OUTLIER -139.19 128.54 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -84.41 126.72 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 15.3 t -101.7 133.19 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -136.04 44.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.31 23.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.553 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -75.34 140.82 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 36.3 m -113.59 -19.88 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.9 t 89.4 -142.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 66.1 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' CYS . 1.2 t60 -149.2 20.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' VAL . 46.7 m -66.05 -60.51 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.263 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.553 HG23 ' SD ' ' A' ' 9' ' ' MET . 2.9 t -39.76 -49.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.38 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -45.41 -42.84 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 22' ' ' VAL . 62.2 mt -70.94 -59.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -48.68 -48.61 39.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -51.06 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -33.63 69.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.563 ' CG1' HG21 ' A' ' 31' ' ' VAL . 41.7 t -74.96 -40.59 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.43 -10.6 70.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -13.95 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.3 120.95 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -64.63 103.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -8.58 4.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.859 HG22 ' HB3' ' A' ' 44' ' ' PHE . 22.1 t -94.42 125.77 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -49.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 155.28 50.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.2 p -153.99 151.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -155.67 168.02 28.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HB ' HG13 ' A' ' 15' ' ' VAL . 58.9 t -151.39 134.21 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.419 ' NE2' ' HE3' ' A' ' 32' ' ' LYS . 7.2 mm-40 -107.52 102.36 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 60.0 tp -60.04 158.29 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt 59.39 14.73 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -118.02 -33.89 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 6' ' ' VAL . 23.5 mt-10 68.59 35.6 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -148.31 145.48 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.33 149.26 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.01 132.22 68.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 54' ' ' ILE . 10.7 p -124.4 152.8 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.34 63.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.859 ' HB3' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -108.66 -171.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.457 ' O ' HG12 ' A' ' 49' ' ' VAL . 61.8 t0 -98.8 125.13 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 2.0 tp10 -77.34 -26.15 51.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 17.32 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.03 -44.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.683 HG13 ' CD2' ' A' ' 44' ' ' PHE . 11.7 p -133.3 154.88 40.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.47 141.65 36.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -57.64 -43.24 84.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.404 ' HA ' HG21 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -50.42 -36.13 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.27 86.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.708 ' CD1' HG21 ' A' ' 42' ' ' VAL . 20.6 mt -60.59 -38.32 77.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.862 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.11 -40.53 81.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.444 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -63.88 -55.12 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.87 -20.8 54.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.63 ' CD1' HG22 ' A' ' 54' ' ' ILE . 18.9 mt -76.04 -62.02 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.486 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.6 p30 -65.87 -29.19 69.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 64.7 tt0 -48.71 -21.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.5 mt -74.85 -71.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.37 38.28 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.41 179.04 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.66 139.82 39.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.577 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.91 123.82 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.4 mt-10 -115.82 119.21 35.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.862 HG23 ' SG ' ' A' ' 55' ' ' CYS . 2.2 t -66.13 135.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 68' ' ' ILE . 14.6 pt-20 -106.2 168.71 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -145.32 132.85 20.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -85.33 130.33 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 43.4 t -103.93 124.65 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -125.59 44.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.13 22.67 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.887 ' CE ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -76.05 156.73 33.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 13.0 m -117.58 -36.33 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.876 ' SG ' HD11 ' A' ' 35' ' ' LEU . 6.4 t 84.36 75.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.16 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.86 5.57 4.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.3 m -66.84 -57.47 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.909 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.5 -49.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.13 -61.42 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.53 -42.69 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . 64.5 mt -70.54 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.8 -47.11 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -49.35 70.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.47 -44.03 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ILE . 48.5 t -69.94 -48.24 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' HG11 ' A' ' 31' ' ' VAL . . . -63.62 -10.53 37.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.0 tpt85 -88.33 -13.01 41.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.553 ' HB ' HG21 ' A' ' 28' ' ' VAL . 36.3 mm -64.28 123.32 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -65.23 113.35 3.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.18 -10.33 10.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.553 HG21 ' HB ' ' A' ' 25' ' ' ILE . 58.0 t -87.1 129.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -37.0 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -166.16 167.37 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.866 HG23 HG22 ' A' ' 42' ' ' VAL . 2.6 p -157.26 159.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' N ' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -155.46 164.17 39.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.909 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -135.34 152.31 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -111.16 97.27 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.979 HD13 ' N ' ' A' ' 36' ' ' LYS . 2.7 tm? -65.72 159.17 25.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.979 ' N ' HD13 ' A' ' 35' ' ' LEU . 12.3 tttp 49.93 22.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.2 mt-10 74.29 53.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -147.34 161.56 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.2 136.58 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -127.75 141.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.866 HG22 HG23 ' A' ' 31' ' ' VAL . 95.9 t -132.84 158.72 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.95 86.14 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.545 ' CD2' ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -127.29 177.22 6.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.97 128.17 42.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.4 -22.99 62.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.65 16.95 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.31 -47.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.6 p -134.13 167.96 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.457 ' N ' HG22 ' A' ' 49' ' ' VAL . 3.5 mt-30 -124.77 145.75 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HB1' ' CE2' ' A' ' 4' ' ' PHE . . . -56.39 -41.98 77.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.59 -29.73 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -44.33 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.572 HG23 HG13 ' A' ' 22' ' ' VAL . 3.3 mp -61.31 -39.31 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.644 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -56.37 -42.6 78.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.06 -44.19 97.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -33.63 71.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.786 HG21 ' HB2' ' A' ' 65' ' ' ALA . 17.3 mt -71.91 -60.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.1 -29.6 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.33 -10.37 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.89 -79.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 168.23 38.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -145.37 -173.57 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.79 136.98 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.786 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -139.1 118.21 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.4 mt-10 -110.33 126.84 54.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.587 HG23 ' SG ' ' A' ' 55' ' ' CYS . 87.2 t -75.01 137.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.4 ' OE1' ' CG1' ' A' ' 67' ' ' VAL . 2.5 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.917 ' CD ' HD12 ' A' ' 68' ' ' ILE . 6.2 pt-20 -106.28 166.0 10.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.752 ' HD2' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -145.89 124.28 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -87.87 130.02 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 64' ' ' GLN . 5.7 t -107.77 133.31 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -128.57 44.86 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.77 23.9 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.2 151.17 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 p -121.19 -39.22 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.945 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.53 ' SG ' HD21 ' A' ' 35' ' ' LEU . 3.9 t 89.39 160.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.299 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.59 76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.3 t-80 89.8 -19.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' VAL . 9.1 m -65.26 -60.9 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.974 HG13 HG11 ' A' ' 33' ' ' VAL . 2.7 t -38.69 -50.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.26 -54.54 23.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -44.66 -39.68 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.4 -64.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.67 -47.85 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.23 -51.21 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.07 -38.9 71.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.454 HG11 ' CG2' ' A' ' 42' ' ' VAL . 16.9 t -74.73 -41.36 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.99 60.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 5.0 ttm-85 -90.75 -13.23 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 49' ' ' VAL . 32.8 mm -66.04 118.5 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 29.3 t -65.37 95.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.98 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.74 -16.12 1.79 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.619 HG13 HG13 ' A' ' 42' ' ' VAL . 42.6 t -85.57 128.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -48.03 9.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -136.68 156.35 48.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG21 ' HB ' ' A' ' 22' ' ' VAL . 2.5 p -144.92 149.91 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.68 164.49 38.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.974 HG11 HG13 ' A' ' 15' ' ' VAL . 5.4 p -133.64 151.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.513 HE22 HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -124.5 90.27 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.53 HD21 ' SG ' ' A' ' 11' ' ' CYS . 12.8 tp -65.61 170.29 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 pttp 42.19 28.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 1.7 tttt -144.11 -38.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.1 mt-10 74.02 54.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -146.78 147.71 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -124.72 142.62 51.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.513 HG23 HE22 ' A' ' 34' ' ' GLN . 23.1 t -118.89 141.82 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.619 HG13 HG13 ' A' ' 28' ' ' VAL . 77.2 t -145.79 152.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -127.33 67.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.667 ' CZ ' ' HB2' ' A' ' 51' ' ' ALA . 24.3 p90 -109.69 -164.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.477 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 4.3 t70 -143.34 143.45 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -70.75 -6.79 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.33 -17.96 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.499 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -111.48 -55.77 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' CG2' ' A' ' 25' ' ' ILE . 25.2 t -143.72 159.67 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.1 mt-30 -101.96 145.03 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -55.88 -45.08 78.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -37.21 57.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -43.79 92.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.52 HD11 ' CG2' ' A' ' 28' ' ' VAL . 96.4 mt -61.11 -37.46 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -63.3 -40.28 96.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.457 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -60.09 -57.65 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.51 52.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 7.5 mt -74.19 -60.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.477 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.5 p30 -66.27 -30.3 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 9.3 tt0 -50.04 -20.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.2 mt -73.93 -70.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.18 37.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.67 179.29 7.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.737 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -105.72 141.9 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.495 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -147.5 150.15 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.0 pt-20 -153.55 126.05 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.752 HG22 ' HD2' ' A' ' 4' ' ' PHE . 89.7 t -68.94 148.38 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.917 HD12 ' CD ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.5 pt-20 -132.51 166.42 22.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.657 ' HE2' ' HB1' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -146.27 133.69 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 65' ' ' ALA . 2.2 t -87.53 131.68 34.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 42.9 t -107.75 131.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -134.11 48.99 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 27.4 0.18 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.62 149.78 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -121.41 -40.24 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.6 t 89.19 173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.7 OUTLIER 74.08 69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.2 t60 89.81 -12.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.568 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -65.7 -57.25 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.535 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -42.69 -48.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.51 -57.35 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -44.23 -45.13 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.21 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.68 -49.73 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -65.1 -48.22 74.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.78 -46.23 81.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.48 HG11 ' CG2' ' A' ' 42' ' ' VAL . 53.4 t -70.35 -32.17 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.575 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -76.64 -23.08 70.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -76.56 -5.52 48.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.839 HG21 HG12 ' A' ' 54' ' ' ILE . 37.5 mm -68.27 119.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -64.87 103.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.92 -5.0 5.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.4 t -94.0 142.74 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.31 -39.74 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -140.21 148.25 41.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG11 ' CA ' ' A' ' 23' ' ' GLY . 1.6 p -154.83 145.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 30.3 tttt -155.39 164.92 38.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' HG13 ' A' ' 15' ' ' VAL . 5.0 p -134.37 156.92 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 30.5 mm-40 -130.35 103.41 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.8 161.26 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp 54.03 18.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HD2' ' CB ' ' A' ' 34' ' ' GLN . 7.9 tttt -122.33 -36.24 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 72.2 mt-10 69.44 42.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.4 146.85 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.5 143.1 51.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 11.0 p -107.56 143.47 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' CD2' ' A' ' 44' ' ' PHE . 73.4 t -145.71 146.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.54 96.78 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.649 ' CE2' HD12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -129.9 -179.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -95.38 131.67 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.59 -23.41 60.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.5 17.01 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -46.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.504 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.4 p -133.7 166.39 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' N ' HG22 ' A' ' 49' ' ' VAL . 2.0 mm-40 -104.37 -101.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.657 ' HB1' ' HE2' ' A' ' 4' ' ' PHE . . . -174.92 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.757 ' HA ' HG21 ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.37 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -43.23 87.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.839 HG12 HG21 ' A' ' 25' ' ' ILE . 34.7 mt -59.44 -40.35 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.498 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 0.1 OUTLIER -56.26 -41.38 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -32.19 57.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -65.4 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.802 HG21 ' HB2' ' A' ' 65' ' ' ALA . 1.9 mp -64.8 -58.6 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 61' ' ' LEU . 12.4 m-20 -54.15 -25.87 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.66 31.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.571 ' H ' ' C ' ' A' ' 59' ' ' ASN . 3.8 mt -141.38 -75.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.02 39.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.1 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.13 143.55 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.802 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.93 131.13 18.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -124.87 121.81 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.757 HG21 ' HA ' ' A' ' 52' ' ' THR . 98.1 t -67.29 140.25 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.5 pt-20 -106.06 149.55 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.538 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -134.64 131.45 37.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.517 ' CB ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -82.95 125.95 31.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 6' ' ' VAL . 5.1 p -103.17 118.48 50.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.506 ' CB ' ' HB2' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -123.73 -172.87 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.05 16.53 6.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.476 ' SD ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.3 146.11 41.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 14.1 m -88.72 -39.91 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.9 ' SG ' HD21 ' A' ' 35' ' ' LEU . 4.4 t 96.34 61.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -144.03 -81.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.633 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 16.3 t60 -124.91 15.46 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 9' ' ' MET . 8.6 m -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.905 HG21 ' HB2' ' A' ' 35' ' ' LEU . 2.8 t -37.48 -51.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' ND1' ' A' ' 13' ' ' HIS . . . -65.88 -45.17 83.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -54.71 -47.71 73.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 1.003 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.3 mm -63.89 -56.07 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.81 ' HG2' HG22 ' A' ' 31' ' ' VAL . 1.1 tm-20 -53.14 -50.94 63.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.85 -46.11 79.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -54.14 -30.73 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.003 HG23 ' O ' ' A' ' 18' ' ' ILE . 65.0 t -73.21 -38.72 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.63 -9.43 38.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -87.01 -23.88 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 22' ' ' VAL . 10.2 mt -68.24 114.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -64.59 99.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.31 -12.48 3.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.485 HG11 HG12 ' A' ' 22' ' ' VAL . 2.2 t -82.83 132.04 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.45 -48.94 3.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -126.2 151.43 47.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.982 HG21 ' HB ' ' A' ' 22' ' ' VAL . 3.5 p -155.79 144.42 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -155.45 161.75 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.474 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 85.5 t -150.98 148.71 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' HG3' ' NZ ' ' A' ' 32' ' ' LYS . 6.3 mt-30 -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.905 ' HB2' HG21 ' A' ' 15' ' ' VAL . 13.0 tp -65.66 164.97 13.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 54.63 18.59 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -41.83 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' SER . 20.0 mt-10 76.4 30.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -140.69 138.7 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB1' HG22 ' A' ' 33' ' ' VAL . . . -127.9 149.18 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -122.64 135.75 61.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 HG23 ' A' ' 31' ' ' VAL . 65.6 t -134.9 153.02 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -131.85 98.43 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 54' ' ' ILE . 3.2 p90 -133.88 -179.59 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -96.05 132.18 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.41 -23.24 57.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.44 13.38 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 -52.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.441 HG11 HG21 ' A' ' 25' ' ' ILE . 41.2 t -134.42 155.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -114.08 147.22 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.506 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -55.69 -41.49 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.7 t -54.01 -45.55 71.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.99 -38.32 88.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.633 HD12 ' CZ ' ' A' ' 44' ' ' PHE . 97.0 mt -62.38 -38.37 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -64.84 -42.87 94.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.95 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.844 HD12 HG23 ' A' ' 18' ' ' ILE . 16.0 mm -79.62 -45.51 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -65.01 -31.42 72.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -10.46 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.7 mt -80.49 -75.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 164.97 42.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.611 ' CE2' HD11 ' A' ' 18' ' ' ILE . 1.4 m-85 -145.05 -177.01 5.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.506 ' HB2' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -105.31 97.23 7.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.686 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -102.46 120.46 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.1 mm-40 -114.14 139.59 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.432 HG22 ' SG ' ' A' ' 55' ' ' CYS . 88.0 t -85.69 129.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.517 HD11 ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mm100 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 15.6 pt-20 -86.37 146.32 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.674 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -127.74 129.31 46.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.603 ' H ' HD13 ' A' ' 68' ' ' ILE . 1.9 t -85.33 131.06 34.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 20.4 t -107.42 135.8 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -134.07 45.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.16 24.64 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 152.11 38.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.8 m -118.83 -36.36 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.723 ' SG ' HD21 ' A' ' 35' ' ' LEU . 5.4 t 88.14 52.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.521 ' ND2' ' C ' ' A' ' 11' ' ' CYS . 1.1 m120 -145.37 56.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 85.1 7.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m -65.92 -59.98 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.8 t -40.37 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.45 65.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.745 HG23 HG12 ' A' ' 58' ' ' ILE . 55.8 mt -73.43 -63.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HG2' HG13 ' A' ' 31' ' ' VAL . 2.4 tm-20 -48.98 -39.08 25.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -53.75 38.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -51.71 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 54' ' ' ILE . 40.9 t -54.65 -35.6 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.36 -14.59 82.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -87.9 -12.92 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.82 121.05 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -65.59 99.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.12 -12.36 3.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.799 HG22 ' HB3' ' A' ' 44' ' ' PHE . 30.7 t -91.7 134.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 4.7 tttt -99.22 -47.81 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 5.0 mmmt -131.34 156.56 45.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.431 HG13 ' HG2' ' A' ' 19' ' ' GLU . 5.1 p -155.29 151.22 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' C ' HG23 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -155.72 166.82 32.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.543 HG22 ' CB ' ' A' ' 40' ' ' ALA . 76.8 t -153.33 141.72 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 6.8 mm-40 -119.78 120.33 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.723 HD21 ' SG ' ' A' ' 11' ' ' CYS . 15.0 tp -67.12 -46.53 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -85.06 42.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -145.96 -39.04 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.8 mt-10 70.64 29.98 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -153.26 137.54 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.543 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -105.44 152.35 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.43 147.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG11 ' HZ ' ' A' ' 4' ' ' PHE . 11.6 p -133.77 152.65 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -129.32 65.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.799 ' HB3' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -115.2 -176.87 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -21.05 54.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.18 8.67 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.46 -46.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 50' ' ' GLN . 60.6 t -135.57 166.69 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.515 ' N ' HG12 ' A' ' 49' ' ' VAL . 4.2 mm100 -117.61 141.74 48.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.674 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -57.9 -41.69 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.64 -39.04 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.99 92.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.643 HG23 HG22 ' A' ' 22' ' ' VAL . 73.4 mt -62.58 -38.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.525 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -60.85 -42.14 97.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 108.323 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -58.29 -40.04 80.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.64 -34.81 74.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.745 HG12 HG23 ' A' ' 18' ' ' ILE . 5.8 mt -72.04 -49.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -65.05 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -14.84 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.8 mt -78.64 -72.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.12 39.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.93 -173.94 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.7 tp60 -105.82 129.95 53.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -146.05 127.53 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -126.2 150.85 48.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.971 ' C ' HD12 ' A' ' 68' ' ' ILE . 87.9 t -84.92 122.58 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.971 HD12 ' C ' ' A' ' 67' ' ' VAL . 1.8 mp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.48 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 pt-20 -93.79 152.0 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 1.3 m-85 -137.24 128.5 27.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 2.5 t -82.52 130.62 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 11.1 t -110.82 123.07 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -122.65 48.34 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.85 24.4 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.95 151.14 37.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.473 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -126.4 -0.35 6.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.972 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.482 ' SG ' HD21 ' A' ' 35' ' ' LEU . 0.9 OUTLIER 57.68 -152.31 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER 67.54 -71.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -142.09 9.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.6 m -68.46 -59.24 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.0 t -36.98 -50.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.0 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -45.51 -40.88 9.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.857 HG23 HD12 ' A' ' 58' ' ' ILE . 59.8 mt -72.93 -61.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HG2' HG13 ' A' ' 31' ' ' VAL . 2.0 tm-20 -47.55 -50.41 23.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.29 -49.0 73.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -55.51 -39.53 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.845 ' CG2' HD11 ' A' ' 58' ' ' ILE . 78.8 t -73.29 -31.56 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.926 ' HA2' HG11 ' A' ' 28' ' ' VAL . . . -81.49 6.61 64.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.31 -16.67 23.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.03 HD13 HG12 ' A' ' 54' ' ' ILE . 12.9 mt -64.27 124.12 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -65.49 94.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.44 -15.74 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.926 HG11 ' HA2' ' A' ' 23' ' ' GLY . 1.2 p -77.54 142.49 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HG2' ' CG ' ' A' ' 30' ' ' LYS . 24.4 tttp -111.85 -46.76 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 29' ' ' LYS . 1.7 mttp -135.3 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 19' ' ' GLU . 2.5 p -156.39 146.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -154.73 165.29 37.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -139.76 144.41 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.79 97.06 6.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.482 HD21 ' SG ' ' A' ' 11' ' ' CYS . 29.8 tp -61.01 163.72 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.79 19.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -128.07 -45.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 39' ' ' LYS . 13.5 mt-10 81.64 43.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.257 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.04 153.57 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.59 140.04 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -112.24 152.06 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.51 ' CG1' ' CD2' ' A' ' 44' ' ' PHE . 95.1 t -146.8 157.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -134.89 76.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -111.99 -179.63 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 49' ' ' VAL . 49.0 t0 -93.6 123.37 36.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -78.03 -4.71 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.465 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -79.0 -25.88 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -115.03 -67.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.614 HG11 ' HB2' ' A' ' 44' ' ' PHE . 8.4 p -84.75 164.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -112.23 -101.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.14 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.853 ' HA ' HG21 ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.27 -36.59 83.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -34.74 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.03 HG12 HD13 ' A' ' 25' ' ' ILE . 93.9 mt -66.11 -36.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.507 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -61.37 -41.43 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -36.33 63.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.66 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.857 HD12 HG23 ' A' ' 18' ' ' ILE . 17.4 mm -68.9 -53.16 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -62.71 -26.41 68.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.26 -11.78 34.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.8 mt -86.18 -77.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.81 37.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.16 -173.59 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.41 142.87 34.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.659 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.78 126.29 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.9 mt-10 -124.84 117.77 24.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.853 HG21 ' HA ' ' A' ' 52' ' ' THR . 10.9 t -67.67 131.79 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.442 HD11 ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 15.4 pt-20 -88.45 164.49 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -129.01 126.98 40.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.707 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.8 t -79.81 128.05 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 2.8 t -98.4 125.93 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -125.18 44.54 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.95 25.66 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.67 ' CE ' HD13 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -73.9 143.15 45.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.19 -18.88 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.8 OUTLIER 87.8 -154.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.344 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.7 m120 80.43 -67.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.414 ' NE2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -162.76 27.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.9 m -67.05 -56.98 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.442 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.9 t -39.49 -49.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.14 -59.18 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -46.17 -43.98 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 22' ' ' VAL . 72.9 mt -64.71 -59.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.36 -49.02 65.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.33 -45.28 84.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -55.61 -38.24 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' ILE . 82.7 t -73.47 -51.28 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.4 -22.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -15.17 60.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.793 HG21 HG11 ' A' ' 49' ' ' VAL . 28.7 mm -70.69 111.68 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -60.39 100.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.77 -13.22 2.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.11 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 44' ' ' PHE . 5.7 t -90.13 128.57 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -91.22 -49.04 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.56 153.18 51.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.81 HG23 HG22 ' A' ' 42' ' ' VAL . 2.3 p -156.42 148.39 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -148.67 164.33 34.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.52 HG22 ' HB1' ' A' ' 40' ' ' ALA . 43.0 t -149.54 140.72 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 21.5 mp0 -123.3 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD13 ' CE ' ' A' ' 9' ' ' MET . 20.5 tp -67.13 -48.35 68.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -83.56 42.2 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 7.6 tttt -146.52 -37.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 71.25 35.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.04 151.17 28.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB1' HG22 ' A' ' 33' ' ' VAL . . . -124.7 128.26 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 14.7 p -97.87 147.17 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.81 HG22 HG23 ' A' ' 31' ' ' VAL . 86.0 t -143.75 144.04 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -118.72 81.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.814 ' HB3' HG22 ' A' ' 28' ' ' VAL . 10.3 p90 -130.14 172.51 11.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . 17.6 t0 -99.22 138.45 36.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 1.6 tt0 -76.69 -4.06 41.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 -28.06 25.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -100.9 -53.65 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.793 HG11 HG21 ' A' ' 25' ' ' ILE . 25.9 t -133.7 144.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -106.03 150.2 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.414 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -55.3 -47.83 75.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.1 -40.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -46.52 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.27 -39.15 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.49 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -55.39 -42.82 74.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.285 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -57.53 -45.97 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -34.33 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.641 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 23.5 mt -73.3 -58.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 63' ' ' TYR . 1.6 m120 -55.07 -30.7 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.3 -11.16 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' CB ' ' CE2' ' A' ' 63' ' ' TYR . 24.2 mt -79.46 -28.77 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.488 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 115.24 17.93 6.48 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' CB ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -124.65 -171.26 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -105.05 137.93 42.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.641 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -143.29 136.08 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -141.97 127.97 19.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 4' ' ' PHE . 85.4 t -64.97 136.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 66' ' ' GLU . 1.5 mp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.836 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.2 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.7 OUTLIER -133.65 135.85 44.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.902 ' CZ ' HG11 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -116.33 132.34 56.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.765 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.9 t -85.51 126.64 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.033 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 38' ' ' GLU . 5.1 p -99.28 131.63 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -138.37 50.63 1.88 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 25.79 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.84 145.4 40.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 83.4 p -106.41 -41.84 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 96.5 58.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -144.46 -80.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -130.26 12.17 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' ' 63' ' ' TYR . 36.1 m -65.92 -57.68 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.992 HG13 ' CG1' ' A' ' 33' ' ' VAL . 3.3 t -39.68 -49.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.58 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -49.48 7.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.34 -55.54 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 1.6 tm-20 -53.28 -50.39 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 19' ' ' GLU . 1.3 tt0 -65.24 -45.23 85.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.05 -36.19 38.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.995 HG12 HG11 ' A' ' 28' ' ' VAL . 29.1 t -72.28 -64.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.69 -20.44 2.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -31.83 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 22' ' ' VAL . 5.7 mt -64.11 121.38 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' VAL . 21.1 t -63.64 96.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.02 -21.68 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.995 HG11 HG12 ' A' ' 22' ' ' VAL . 51.7 t -87.26 120.78 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.39 -51.85 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -137.9 153.26 49.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.695 HG21 HG11 ' A' ' 22' ' ' VAL . 3.0 p -156.51 155.41 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 3.3 ttpp -154.86 164.25 39.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.992 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -134.8 145.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.14 106.32 10.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.505 HD13 ' SD ' ' A' ' 9' ' ' MET . 36.6 tp -62.51 160.09 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 1.3 tttp 57.96 16.42 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -119.45 -34.92 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HA ' HG12 ' A' ' 6' ' ' VAL . 58.1 mt-10 67.77 33.78 4.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -151.23 144.25 24.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.83 137.05 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.6 p -95.14 134.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.902 HG11 ' CZ ' ' A' ' 4' ' ' PHE . 11.1 p -124.31 148.51 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' LYS . 53.1 tttt -129.04 73.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.742 ' HB3' HG22 ' A' ' 28' ' ' VAL . 19.6 p90 -121.88 -163.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -143.36 144.94 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -5.91 46.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -18.71 42.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.62 -53.29 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG11 ' CG2' ' A' ' 25' ' ' ILE . 24.8 t -147.05 155.54 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -97.9 146.22 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.755 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -56.29 -45.93 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.4 t -47.64 -46.22 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -66.59 -35.42 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 51' ' ' ALA . 65.1 mt -62.86 -37.9 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.512 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -56.33 -41.71 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.97 74.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.769 ' CB ' HD11 ' A' ' 25' ' ' ILE . . . -53.69 -33.83 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.736 HG21 ' HB2' ' A' ' 65' ' ' ALA . 3.4 mt -73.78 -57.19 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -55.92 -29.11 59.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.88 -11.0 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.8 mt -84.52 -76.03 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.55 40.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -145.11 -171.46 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 110.976 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -105.95 129.86 54.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -137.92 135.74 36.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.65 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -140.48 131.35 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.468 ' C ' HD12 ' A' ' 68' ' ' ILE . 92.1 t -67.79 134.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 5' ' ' SER . 1.6 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.868 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.872 ' O ' HG12 ' A' ' 42' ' ' VAL . 1.3 mm-40 -90.23 156.55 18.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.103 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt-20 -134.45 159.47 40.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.769 ' CZ ' HG11 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -137.48 146.53 44.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.817 ' HB2' HD11 ' A' ' 68' ' ' ILE . 1.9 t -97.6 132.19 43.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 57.4 t -104.71 128.92 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -129.01 46.7 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.78 24.12 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 ttm -75.11 153.34 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 58.6 m -118.21 -36.1 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.608 ' SG ' HD21 ' A' ' 35' ' ' LEU . 6.0 t 87.61 53.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.63 69.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 t60 77.6 0.3 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.641 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' VAL . 22.8 m -65.99 -59.02 4.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.488 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.8 t -40.6 -49.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.28 -56.73 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.7 -48.16 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.98 ' O ' HG23 ' A' ' 22' ' ' VAL . 50.7 mt -63.54 -57.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -49.35 -53.62 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.75 -45.37 86.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.33 -35.83 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 18' ' ' ILE . 48.2 t -73.09 -54.01 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' N ' HG11 ' A' ' 31' ' ' VAL . . . -52.84 -18.93 6.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -18.83 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.609 ' CD1' HG23 ' A' ' 54' ' ' ILE . 13.6 mt -64.33 113.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 31.2 t -59.41 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.05 -18.64 1.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.874 HG22 ' HB3' ' A' ' 44' ' ' PHE . 6.4 t -87.93 130.76 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -84.59 -48.18 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.07 141.2 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 41' ' ' VAL . 1.7 p -136.76 151.59 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -140.09 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.488 ' HB ' HG13 ' A' ' 15' ' ' VAL . 56.8 t -142.22 139.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -118.42 107.3 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD21 ' SG ' ' A' ' 11' ' ' CYS . 63.8 tp -65.27 161.78 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' H ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER 58.1 15.82 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 11.5 tttt -120.81 -35.86 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 13.5 mt-10 69.02 41.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.57 145.0 21.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.71 134.86 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 p -98.3 133.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 2' ' ' GLN . 11.8 p -122.29 145.8 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -126.25 74.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.874 ' HB3' HG22 ' A' ' 28' ' ' VAL . 29.6 p90 -120.59 -163.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.465 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 5.2 t0 -143.16 144.75 32.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.16 -12.35 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 6.58 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.28 -51.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 25' ' ' ILE . 28.8 t -150.42 159.21 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 2.2 mp0 -103.48 145.5 29.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.736 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -55.99 -44.85 79.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -46.49 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -36.69 84.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 51' ' ' ALA . 52.1 mt -62.08 -36.92 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.754 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -59.97 -42.56 94.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tp60 -58.67 -45.5 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HB3' HD11 ' A' ' 25' ' ' ILE . . . -54.67 -29.26 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.7 mt -78.31 -48.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -65.19 -28.03 69.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -65.51 -9.6 27.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.9 mt -81.17 -77.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.66 39.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.13 -174.16 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.9 tt0 -105.28 111.85 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -120.2 141.89 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -151.51 132.86 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG23 ' SG ' ' A' ' 55' ' ' CYS . 90.7 t -63.99 123.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 5' ' ' SER . 97.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.552 ' HG2' HG13 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -145.61 133.48 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.49 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 3.8 pt-20 -94.88 161.05 14.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -136.06 151.08 49.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.508 ' CA ' HD11 ' A' ' 68' ' ' ILE . 1.8 t -98.4 131.19 44.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 t -100.68 136.32 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' GLN . 3.7 mttt -135.6 162.57 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.42 -14.84 21.06 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.418 ' CG ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -63.68 147.07 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.736 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 25.0 p -145.01 16.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 90.48 -134.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 67.15 19.32 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 87.98 21.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' CG ' ' A' ' 9' ' ' MET . 9.9 m -66.66 -50.37 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.59 -48.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.15 -58.39 6.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -45.22 -49.0 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' VAL . 63.6 mt -62.63 -55.62 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.63 -53.92 21.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -65.29 -47.99 74.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.1 -34.11 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.671 ' CG1' HG21 ' A' ' 31' ' ' VAL . 21.1 t -75.0 -34.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -3.66 54.36 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -89.02 -15.95 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.507 HD13 HG12 ' A' ' 54' ' ' ILE . 13.8 mt -65.13 108.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -57.95 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.74 -14.05 2.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 44' ' ' PHE . 25.0 t -83.87 131.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -47.49 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.08 145.02 50.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.671 HG21 ' CG1' ' A' ' 22' ' ' VAL . 2.4 p -149.25 144.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 6.1 tttt -155.02 167.24 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.544 HG22 ' CB ' ' A' ' 40' ' ' ALA . 79.5 t -150.6 133.06 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 89.5 mm-40 -108.91 122.31 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tp -67.28 -48.51 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.48 43.36 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -147.1 -37.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.7 mt-10 71.41 33.71 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -151.24 160.51 43.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 10.3 p -98.52 144.42 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.757 HG12 ' HD1' ' A' ' 44' ' ' PHE . 80.4 t -145.44 141.91 22.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -127.03 85.64 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.757 ' HD1' HG12 ' A' ' 42' ' ' VAL . 16.1 p90 -120.47 -179.95 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -96.55 132.86 41.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.77 -23.92 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.11 13.0 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.28 -53.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.7 t -134.68 160.01 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 36.4 mm-40 -113.09 147.18 37.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -55.57 -46.12 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 t -51.01 -42.31 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.04 93.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.59 HD13 HG11 ' A' ' 42' ' ' VAL . 70.8 mt -60.64 -36.83 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.568 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -63.19 -41.78 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -58.9 -44.81 91.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.18 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.5 mt -79.74 -46.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -65.04 -30.03 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.3 tt0 -65.15 -9.75 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.2 mt -82.02 -76.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 167.82 39.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.37 166.75 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.2 tp60 -90.46 91.76 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -106.7 140.27 39.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' CA ' ' SG ' ' A' ' 55' ' ' CYS . 2.8 pt-20 -154.5 143.75 21.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 2' ' ' GLN . 88.4 t -64.2 132.88 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.508 HD11 ' CA ' ' A' ' 5' ' ' SER . 57.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.58 162.97 31.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 13.3 pt-20 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.3 138.36 53.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.679 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.1 t -93.73 133.74 36.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 64' ' ' GLN . 77.6 t -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.19 48.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.71 27.09 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.408 ' CE ' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -75.37 157.68 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -109.65 -29.91 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 7.2 t 83.04 133.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.7 m-20 81.09 95.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.523 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER 89.4 -29.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 10' ' ' SER . 18.8 m -63.93 -58.59 6.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.33 -48.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.53 -53.9 35.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -44.65 -48.72 10.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.607 HG23 HG12 ' A' ' 58' ' ' ILE . 63.0 mt -63.73 -59.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -53.74 21.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.41 97.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -53.92 -38.43 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.811 ' HB ' HG21 ' A' ' 31' ' ' VAL . 71.9 t -75.34 -50.72 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.13 -23.5 17.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -17.11 60.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.3 mm -68.78 114.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -64.93 96.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.68 -16.72 2.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.6 t -78.8 134.15 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -96.27 -46.47 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -135.79 156.67 48.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.811 HG21 ' HB ' ' A' ' 22' ' ' VAL . 2.9 p -155.17 143.5 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 ttmm -150.06 166.14 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 32' ' ' LYS . 39.2 t -155.22 133.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.7 mp0 -115.81 120.04 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -67.21 -47.73 70.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.1 42.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -146.79 -36.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.9 mt-10 72.52 19.66 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -135.74 157.59 46.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -124.64 138.28 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.28 138.99 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 31' ' ' VAL . 39.7 t -143.87 153.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -131.08 95.31 3.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 1.5 p90 -130.02 177.56 7.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.94 131.88 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -75.64 -24.4 56.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 12.08 10.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.64 -51.2 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.8 t -134.74 149.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' NE2' ' HG2' ' A' ' 46' ' ' GLU . 9.5 mm-40 -108.97 145.79 34.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.576 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.26 -45.23 80.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.67 -41.19 42.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -43.08 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -43.0 99.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -38.91 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.79 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.607 HG12 HG23 ' A' ' 18' ' ' ILE . 10.1 mt -68.7 -55.07 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -60.97 -28.48 69.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.13 -12.27 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.5 mt -83.75 -76.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.72 38.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.03 177.71 8.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 0.717 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.53 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.15 133.41 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.495 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -143.06 153.76 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -155.07 134.26 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.489 ' C ' HD12 ' A' ' 68' ' ' ILE . 80.1 t -69.1 137.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.679 HD13 ' HB3' ' A' ' 5' ' ' SER . 1.5 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.49 ' OE1' HG22 ' A' ' 67' ' ' VAL . 1.9 mm-40 -150.12 160.03 43.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -134.05 153.9 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.616 ' CD2' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -127.76 129.07 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -85.1 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 45.2 t -104.42 137.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -139.58 44.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.74 25.39 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.28 146.81 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -110.23 -37.84 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.5 t 88.64 156.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.32 78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 89.61 -16.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.9 m -65.88 -58.9 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.864 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -42.45 -48.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -54.98 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.51 -43.98 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.0 mt -67.3 -62.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' OE1' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.33 -49.2 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -65.3 -45.42 84.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -57.76 -44.0 85.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.694 ' CG1' HG21 ' A' ' 31' ' ' VAL . 25.1 t -74.1 -40.87 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.95 -13.16 46.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -85.93 -12.85 49.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.74 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.967 ' CG2' HG21 ' A' ' 49' ' ' VAL . 31.4 mm -67.92 122.27 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -65.38 107.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.63 -21.11 4.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.532 HG13 ' CG2' ' A' ' 42' ' ' VAL . 48.6 t -82.09 121.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 1.9 tttm -85.48 -54.37 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 10.1 mmtt -131.57 151.94 51.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.694 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.1 p -156.54 148.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.86 164.43 38.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.864 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.5 p -138.05 141.05 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 15.5 mm-40 -118.58 121.34 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.24 -46.66 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.27 41.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.8 tttt -146.29 -39.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.0 mt-10 70.98 29.25 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.2 138.92 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -101.06 136.85 40.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 t -103.8 129.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.573 HG11 ' HZ ' ' A' ' 4' ' ' PHE . 12.2 p -120.32 153.34 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' LYS . 7.0 tttm -126.76 67.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.651 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 29.4 p90 -113.86 -162.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' VAL . 9.9 t0 -142.92 142.58 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -8.34 55.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 5.17 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.27 -53.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.967 HG21 ' CG2' ' A' ' 25' ' ' ILE . 9.1 p -138.27 150.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.88 143.71 34.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.57 -42.77 34.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -37.56 86.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.463 HG23 HG22 ' A' ' 22' ' ' VAL . 33.3 mt -60.18 -38.74 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.18 -41.94 85.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.86 -42.61 99.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.44 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 11.5 mt -67.52 -50.4 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.42 -27.46 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 mm-40 -65.19 -9.97 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.9 mt -81.29 -76.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.72 39.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.96 -176.52 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.29 118.25 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -133.61 149.41 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' SER . 8.5 mm-40 -154.97 131.13 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -68.97 123.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 67' ' ' VAL . 1.4 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.671 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 2.1 tt0 -140.34 146.4 38.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.533 ' N ' ' HG3' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -130.49 153.52 48.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.576 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -128.59 147.43 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -100.19 128.67 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 64' ' ' GLN . 29.1 t -103.68 143.62 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -143.86 42.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.87 23.19 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.473 ' SD ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.06 153.06 39.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 0.789 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 57.0 m -112.48 -22.81 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.7 OUTLIER 86.66 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.33 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.5 m120 78.77 -67.18 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -157.51 25.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.3 m -66.39 -56.12 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.344 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.697 HG22 HG12 ' A' ' 33' ' ' VAL . 2.7 t -41.74 -49.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.43 -49.99 67.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.65 -47.42 70.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 22' ' ' VAL . 48.6 mt -68.05 -52.17 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -52.68 -53.5 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -64.27 -44.74 90.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -58.51 -42.96 88.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 18' ' ' ILE . 60.5 t -67.03 -54.56 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.82 -19.92 3.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -13.75 60.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 16.3 mt -68.18 117.61 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.8 t -64.8 108.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.06 -20.19 4.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.665 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.7 t -80.52 125.95 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -49.7 7.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -135.52 159.56 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 42' ' ' VAL . 5.0 p -155.59 152.0 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.58 167.86 29.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.697 HG12 HG22 ' A' ' 15' ' ' VAL . 78.1 t -155.23 141.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 17.5 mp0 -124.24 117.5 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.6 tm? -66.63 -45.17 79.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.63 41.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -145.52 -43.58 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 37' ' ' LYS . 2.0 mt-10 79.09 28.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -150.99 140.24 21.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.486 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -104.92 138.47 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 t -104.77 133.46 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.817 HG22 HG23 ' A' ' 31' ' ' VAL . 98.1 t -137.38 144.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -124.94 95.95 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.665 ' HB3' HG22 ' A' ' 28' ' ' VAL . 2.4 p90 -135.22 178.5 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 49' ' ' VAL . 62.4 t0 -95.72 124.87 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.22 -5.32 46.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.54 -32.53 28.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -107.33 -70.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 45' ' ' ASP . 36.6 t -88.7 154.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.78 156.44 43.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.671 ' HB2' ' OE1' ' A' ' 2' ' ' GLN . . . -56.88 -37.16 70.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.77 -45.86 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 22' ' ' VAL . 18.0 mt -65.57 -39.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.56 ' HG ' ' HD2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -66.46 -44.25 83.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 108.312 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.65 -50.41 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.93 -32.78 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.626 HG21 ' HB2' ' A' ' 65' ' ' ALA . 52.2 mt -73.49 -65.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -52.79 -26.99 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.1 tt0 -65.0 -11.53 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.5 mt -84.06 -76.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.22 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.71 -173.37 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.644 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -106.59 134.74 49.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.22 133.33 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 mt-10 -125.79 142.07 51.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 68' ' ' ILE . 98.6 t -76.14 119.58 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 67' ' ' VAL . 1.5 mp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 77.51 118.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 15.2 pt-20 -105.23 164.75 11.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.703 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -133.88 129.97 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.448 ' N ' HD11 ' A' ' 68' ' ' ILE . 3.3 t -79.51 128.43 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 64' ' ' GLN . 27.3 t -107.35 116.43 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -113.03 49.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.43 24.82 0.22 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -75.38 158.23 33.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 11.8 m -113.25 -23.18 10.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.74 ' SG ' HD21 ' A' ' 35' ' ' LEU . 18.7 t 68.47 67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.522 ' OD1' ' CB ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -166.65 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -122.21 -1.43 9.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.569 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' VAL . 17.5 m -66.77 -59.34 3.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.794 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -36.88 -50.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.24 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -44.91 -45.54 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.42 -58.77 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.42 -43.83 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.53 -47.72 74.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.77 -56.24 14.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.597 ' CG1' HG21 ' A' ' 31' ' ' VAL . 68.0 t -54.35 -33.44 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.528 ' HA2' HG11 ' A' ' 31' ' ' VAL . . . -75.51 -19.54 79.23 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -9.7 58.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.0 113.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -65.16 96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.51 -13.25 2.73 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' A' ' 44' ' ' PHE . 9.0 t -85.46 124.14 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -49.86 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -132.38 148.24 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.597 HG21 ' CG1' ' A' ' 22' ' ' VAL . 1.5 p -155.49 140.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 164.25 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.794 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -138.93 142.74 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.19 106.93 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.74 HD21 ' SG ' ' A' ' 11' ' ' CYS . 38.3 tp -63.01 155.75 26.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt 63.39 9.87 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -117.5 -34.91 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 5' ' ' SER . 5.5 mt-10 68.85 35.47 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -144.09 144.58 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.651 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -130.35 131.62 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.06 145.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.757 HG12 ' HD1' ' A' ' 44' ' ' PHE . 72.7 t -143.19 140.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -124.71 86.13 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.757 ' HD1' HG12 ' A' ' 42' ' ' VAL . 15.8 p90 -122.08 -179.83 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -96.61 131.27 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.44 -23.13 56.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 14.08 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.22 -52.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.61 158.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -116.06 144.12 44.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.581 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.75 -43.66 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.83 -40.67 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -45.43 84.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.58 HD13 HG11 ' A' ' 42' ' ' VAL . 84.9 mt -58.89 -37.59 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.651 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.1 -41.35 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.4 tp-100 -65.51 -42.64 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -21.64 66.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.797 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 29.5 mt -76.33 -63.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.492 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 5.0 p30 -65.36 -28.55 69.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.3 mm-40 -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 10.6 mt -77.7 -74.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 178.72 35.98 0.06 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.22 -171.0 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 6' ' ' VAL . 1.5 tt0 -105.16 154.56 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.797 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -146.28 141.0 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.5 OUTLIER -143.18 114.96 8.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.651 HG23 ' SG ' ' A' ' 55' ' ' CYS . 70.8 t -64.9 130.87 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.89 142.59 36.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 7.6 pt-20 -105.95 157.72 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.713 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -136.39 131.62 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 65' ' ' ALA . 2.2 t -78.97 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 86.2 t -146.77 141.59 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -155.12 48.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.03 26.6 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.684 ' SD ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.78 144.79 41.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 28.0 m -116.69 -32.45 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 92.07 -147.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 1.9 m-80 66.35 33.12 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.536 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 90.07 16.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.605 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m -66.63 -52.88 40.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.0 t -39.86 -49.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -43.38 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.6 mt -69.93 -60.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -45.51 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.52 -53.24 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.25 83.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 25' ' ' ILE . 50.3 t -55.44 -39.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA2' HG11 ' A' ' 28' ' ' VAL . . . -62.14 -11.43 32.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -81.92 -7.65 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.714 ' CD1' HG23 ' A' ' 54' ' ' ILE . 18.8 mt -65.33 114.12 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 49' ' ' VAL . 6.1 t -65.16 96.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.02 -7.01 4.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.613 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -83.56 136.4 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -45.72 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -137.32 156.48 48.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 42' ' ' VAL . 2.1 p -149.09 145.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -155.16 169.53 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' LYS . 3.7 t -151.91 154.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 4.7 mt-30 -136.04 104.95 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.684 HD12 ' SD ' ' A' ' 9' ' ' MET . 1.3 tt -67.68 -45.37 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 39.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 2.6 tttt -147.46 -43.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 3.4 mt-10 84.83 34.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HE2' ' CE ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -154.3 171.29 19.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -140.49 150.35 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.9 t -122.17 139.27 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.613 ' CG1' ' CG2' ' A' ' 28' ' ' VAL . 76.8 t -143.72 142.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -114.68 99.78 7.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 51' ' ' ALA . 45.0 p90 -129.7 -161.82 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 47' ' ' ALA . 20.1 t0 -141.06 140.37 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -13.64 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -84.72 8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -52.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.52 HG11 ' CG2' ' A' ' 25' ' ' ILE . 25.6 t -145.66 156.76 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -106.2 147.51 28.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -55.64 -45.45 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -42.6 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -39.3 90.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.714 HG23 ' CD1' ' A' ' 25' ' ' ILE . 87.6 mt -58.4 -36.46 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -61.71 -42.39 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.292 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tm0? -59.7 -39.19 83.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.36 -29.67 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.466 HG21 ' HB2' ' A' ' 65' ' ' ALA . 10.8 mt -78.43 -53.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.87 -25.67 68.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -65.3 -9.96 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.7 mt -84.71 -78.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.498 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -145.25 -179.53 6.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 3.8 tt0 -106.59 132.2 52.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 5' ' ' SER . . . -145.35 128.26 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 5' ' ' SER . 13.9 mm-40 -115.25 117.97 31.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.62 HG23 ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -65.64 131.74 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -99.49 163.12 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' C ' HG12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -132.49 166.54 21.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -146.06 126.0 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.529 ' N ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -85.13 127.96 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 92.9 t -99.16 125.56 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -122.38 44.8 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.78 24.9 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.504 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -73.55 161.46 30.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.607 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 70.3 m -115.07 -25.45 8.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.813 ' SG ' HD21 ' A' ' 35' ' ' LEU . 3.6 t 96.57 -16.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.465 ' C ' ' H ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER -74.12 -141.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.26 22.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 12' ' ' ASN . 10.3 m -66.53 -55.14 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.762 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -42.26 -48.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.64 86.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -37.93 64.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.851 ' O ' HG23 ' A' ' 22' ' ' VAL . 49.2 mt -75.09 -60.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -44.86 -50.58 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.28 -53.32 45.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.6 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 18' ' ' ILE . 97.4 t -75.55 -49.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -12.7 28.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -77.12 -18.7 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.584 HG21 HG11 ' A' ' 49' ' ' VAL . 13.2 mt -69.14 117.26 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -65.51 92.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.4 -19.7 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.7 t -79.44 123.56 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -51.11 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.07 156.02 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 HG22 ' A' ' 42' ' ' VAL . 3.9 p -155.29 150.71 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.1 tptt -155.75 165.78 35.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.762 ' CG1' HG13 ' A' ' 15' ' ' VAL . 13.2 t -140.19 151.36 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.13 106.27 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.813 HD21 ' SG ' ' A' ' 11' ' ' CYS . 15.0 tp -65.11 162.03 17.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 57.99 15.98 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 6.8 tttt -121.13 -37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 70.7 36.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -150.71 145.92 26.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.81 145.2 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 8.5 p -109.63 147.77 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.785 HG22 HG23 ' A' ' 31' ' ' VAL . 76.4 t -145.66 149.67 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -123.51 69.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' HB3' HG22 ' A' ' 28' ' ' VAL . 48.8 p90 -99.28 -168.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 49' ' ' VAL . 24.0 t0 -142.41 139.39 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG2' ' A' ' 50' ' ' GLN . 1.5 tt0 -70.14 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.81 5.45 24.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.25 -55.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.584 HG11 HG21 ' A' ' 25' ' ' ILE . 25.0 t -146.63 162.88 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.9 mt-30 -113.92 158.62 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.855 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -56.3 -38.42 71.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.3 t -52.71 -45.56 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -65.98 -39.15 90.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 51' ' ' ALA . 7.6 mt -62.8 -37.0 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.505 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -61.74 -42.49 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.27 -47.68 78.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.66 -35.78 22.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.914 HG21 ' HB2' ' A' ' 65' ' ' ALA . 26.3 mt -70.78 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -51.3 -26.56 7.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLN . 18.2 tt0 -65.3 -10.08 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.0 mt -88.55 -78.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.25 39.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.1 -172.66 3.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.26 141.22 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.914 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.53 137.71 25.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -148.62 128.19 13.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.643 HG22 ' CD2' ' A' ' 4' ' ' PHE . 71.6 t -67.2 155.01 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.578 ' N ' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 43' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -107.83 141.29 39.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 11.8 pt-20 -106.35 160.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 1.3 m-85 -138.07 131.65 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.725 ' H ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -78.23 132.82 37.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.517 HG11 ' CE ' ' A' ' 9' ' ' MET . 23.3 t -86.35 143.78 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 64' ' ' GLN . 11.3 mttt -155.77 155.04 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.34 7.22 24.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.517 ' CE ' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -71.57 157.02 38.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 3.4 m -114.01 -29.53 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.653 ' SG ' HD22 ' A' ' 35' ' ' LEU . 5.7 t 88.56 -5.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.12 72.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 68.13 8.65 6.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' VAL . 18.3 m -66.77 -58.44 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.654 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.6 -51.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -55.52 15.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -45.12 -43.72 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.487 HG23 HG12 ' A' ' 58' ' ' ILE . 41.1 mt -66.44 -64.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.726 ' HG2' HG22 ' A' ' 31' ' ' VAL . 2.5 tt0 -49.03 -32.98 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -60.55 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.14 87.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.56 -32.66 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.446 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -79.37 -18.89 72.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.85 -5.94 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 110.228 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.96 113.91 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -64.85 95.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.85 -13.57 2.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.1 132.64 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.249 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -46.29 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -141.17 156.16 45.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.726 HG22 ' HG2' ' A' ' 19' ' ' GLU . 2.5 p -145.46 144.75 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.557 ' O ' HG23 ' A' ' 33' ' ' VAL . 9.7 tptt -152.65 163.97 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.654 ' CG1' HG13 ' A' ' 15' ' ' VAL . 13.3 t -155.77 124.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 35.9 mm-40 -112.81 119.96 39.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.653 HD22 ' SG ' ' A' ' 11' ' ' CYS . 32.8 tp -67.46 -47.1 71.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 42.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 12.9 tttt -145.62 -37.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 70.98 31.07 2.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.01 143.31 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.05 140.6 38.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' LYS . 1.5 t -109.53 123.35 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.868 HG12 ' CD1' ' A' ' 44' ' ' PHE . 74.6 t -135.83 137.89 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HA ' ' CB ' ' A' ' 1' ' ' ALA . 2.8 tttm -115.43 100.35 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.868 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -131.27 169.23 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.1 -22.49 58.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.78 14.91 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.44 -56.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.2 t -134.56 160.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 17.1 mm-40 -108.39 142.7 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -57.34 -42.12 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.17 -42.95 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -32.96 74.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.72 -38.64 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.57 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -65.18 -43.12 92.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.252 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -36.29 76.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -27.04 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.037 HG21 ' HB2' ' A' ' 65' ' ' ALA . 5.4 mt -78.32 -51.89 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -60.05 -28.58 67.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -9.85 25.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.1 mt -89.72 -77.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.23 39.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -142.34 -164.26 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -133.2 109.73 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -111.61 117.3 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -97.3 141.93 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.602 ' C ' HD13 ' A' ' 68' ' ' ILE . 88.5 t -86.38 137.35 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.725 HD11 ' H ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.81 124.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.12 161.01 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.666 ' CD2' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -131.86 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.838 ' HB2' HD11 ' A' ' 68' ' ' ILE . 1.7 t -95.08 130.89 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 64' ' ' GLN . 92.1 t -106.1 126.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -122.36 51.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.28 26.63 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.459 ' HE3' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -71.0 148.09 47.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 2.3 m -122.1 -39.43 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.7 t 93.08 170.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m-20 80.48 66.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 74.91 5.95 4.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 m -66.15 -54.82 20.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -46.2 -49.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.0 -47.66 76.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -43.69 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -74.27 -63.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.98 -35.36 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -62.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.29 89.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.452 HG13 HG23 ' A' ' 54' ' ' ILE . 97.9 t -61.0 -32.54 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.61 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -80.91 -20.88 64.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 24' ' ' ARG . 21.3 ttp180 -84.03 -5.56 59.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.787 ' CG2' HG21 ' A' ' 49' ' ' VAL . 35.6 mm -64.56 118.29 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -64.47 101.04 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.49 -16.41 3.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 54' ' ' ILE . 96.1 t -85.75 124.44 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -84.87 -49.43 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -134.26 151.52 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.61 HG11 ' CA ' ' A' ' 23' ' ' GLY . 2.6 p -147.43 149.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 33' ' ' VAL . 6.7 tttp -155.54 165.57 36.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG22 ' CB ' ' A' ' 40' ' ' ALA . 56.9 t -155.67 144.52 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 16.5 mp0 -127.54 118.46 24.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.545 HD11 ' SG ' ' A' ' 11' ' ' CYS . 7.9 tt -67.11 -49.52 64.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.63 43.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.4 tttm -146.95 -37.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 4.1 mt-10 71.17 33.43 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -154.08 152.79 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.499 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -124.36 146.56 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.0 t -116.77 148.92 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 54' ' ' ILE . 75.7 t -145.19 143.65 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -118.92 75.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.622 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 27.5 p90 -117.58 -165.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.479 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 26.9 t0 -142.39 139.49 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -6.88 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.6 -15.05 50.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -120.47 -54.71 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' CG2' ' A' ' 25' ' ' ILE . 8.1 p -136.39 151.92 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -104.38 144.35 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.51 -44.63 80.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -39.1 52.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -42.6 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.652 ' CD1' HG11 ' A' ' 42' ' ' VAL . 34.9 mt -60.17 -39.77 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -42.55 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 5.2 tp60 -62.2 -44.45 96.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.42 -41.93 69.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.772 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 32.7 mt -62.4 -54.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -63.6 -24.33 67.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLN . 27.4 tt0 -65.11 -10.36 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.7 mt -88.38 -76.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.98 37.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.33 -172.68 3.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.482 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.67 143.49 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.772 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.93 141.29 27.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' SER . 3.4 mt-10 -155.38 132.28 10.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.666 HG22 ' CD2' ' A' ' 4' ' ' PHE . 91.3 t -63.97 127.3 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.838 HD11 ' HB2' ' A' ' 5' ' ' SER . 98.4 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.563 ' O ' ' CE2' ' A' ' 44' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.45 143.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.1 pm0 -96.77 172.85 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.14 130.13 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.814 ' N ' HD11 ' A' ' 68' ' ' ILE . 2.1 t -84.24 134.85 34.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 21.8 t -110.15 122.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -121.42 45.97 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 25.13 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.672 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.02 140.54 43.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 6.2 m -113.66 -22.97 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 88.99 -146.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.04 -68.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -157.93 24.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.8 m -67.02 -56.87 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.867 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -40.1 -49.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.33 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.381 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -55.37 -46.82 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 53.4 mt -65.59 -53.17 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' OE2' HG13 ' A' ' 31' ' ' VAL . 7.4 tm-20 -55.97 -51.14 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -39.91 92.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -61.48 -49.93 74.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.816 ' HB ' HG21 ' A' ' 31' ' ' VAL . 61.8 t -68.77 -31.61 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.57 -7.41 61.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -13.75 28.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.8 mm -67.4 117.57 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -65.15 102.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -20.6 3.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.5 t -76.27 132.58 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -45.16 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -144.89 141.84 29.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.816 HG21 ' HB ' ' A' ' 22' ' ' VAL . 1.8 p -147.06 142.62 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -155.53 163.6 39.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.867 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.4 p -142.45 153.59 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.1 mm-40 -126.83 124.12 38.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.672 HD13 ' CE ' ' A' ' 9' ' ' MET . 40.1 tp -66.91 -49.14 66.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.37 43.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.1 tttt -147.06 -38.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.4 mt-10 70.96 30.5 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -154.48 158.22 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -124.44 148.15 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -115.77 144.66 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.708 HG22 HG23 ' A' ' 31' ' ' VAL . 94.7 t -145.14 156.46 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -133.52 73.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD1' HG13 ' A' ' 49' ' ' VAL . 23.9 p90 -104.19 -179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -96.48 123.21 40.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 2.5 tt0 -79.09 -5.3 53.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.55 -1.89 57.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.9 -69.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 44' ' ' PHE . 10.3 p -95.41 152.84 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.45 155.69 38.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' ' CE2' ' A' ' 4' ' ' PHE . . . -57.65 -35.69 70.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -39.04 62.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -42.22 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.485 HD12 ' CE2' ' A' ' 44' ' ' PHE . 96.6 mt -61.54 -38.69 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.512 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.24 -44.68 95.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.02 71.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.8 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 8.6 mt -66.43 -51.55 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -65.42 -23.5 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -65.1 -10.32 29.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.526 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 13.7 mt -88.89 -76.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.57 39.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.02 -171.04 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.15 140.13 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.8 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.77 124.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -127.89 147.52 50.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.504 ' C ' HD13 ' A' ' 68' ' ' ILE . 70.1 t -85.92 148.96 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.814 HD11 ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -152.03 151.3 30.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.504 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 12.5 pt-20 -105.61 167.75 9.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.781 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 0.6 OUTLIER -139.19 128.54 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -84.41 126.72 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 15.3 t -101.7 133.19 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -136.04 44.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.31 23.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.553 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -75.34 140.82 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 36.3 m -113.59 -19.88 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.9 t 89.4 -142.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 66.1 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' CYS . 1.2 t60 -149.2 20.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' VAL . 46.7 m -66.05 -60.51 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.263 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG23 ' SD ' ' A' ' 9' ' ' MET . 2.9 t -39.76 -49.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.38 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -45.41 -42.84 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 22' ' ' VAL . 62.2 mt -70.94 -59.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -48.68 -48.61 39.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -51.06 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -33.63 69.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.563 ' CG1' HG21 ' A' ' 31' ' ' VAL . 41.7 t -74.96 -40.59 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.43 -10.6 70.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -13.95 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.3 120.95 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -64.63 103.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -8.58 4.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.859 HG22 ' HB3' ' A' ' 44' ' ' PHE . 22.1 t -94.42 125.77 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -49.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 155.28 50.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.2 p -153.99 151.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -155.67 168.02 28.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HB ' HG13 ' A' ' 15' ' ' VAL . 58.9 t -151.39 134.21 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.419 ' NE2' ' HE3' ' A' ' 32' ' ' LYS . 7.2 mm-40 -107.52 102.36 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 60.0 tp -60.04 158.29 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt 59.39 14.73 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -118.02 -33.89 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 6' ' ' VAL . 23.5 mt-10 68.59 35.6 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -148.31 145.48 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.33 149.26 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.01 132.22 68.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 54' ' ' ILE . 10.7 p -124.4 152.8 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.34 63.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.859 ' HB3' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -108.66 -171.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.457 ' O ' HG12 ' A' ' 49' ' ' VAL . 61.8 t0 -98.8 125.13 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 2.0 tp10 -77.34 -26.15 51.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 17.32 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.03 -44.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.683 HG13 ' CD2' ' A' ' 44' ' ' PHE . 11.7 p -133.3 154.88 40.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.47 141.65 36.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -57.64 -43.24 84.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.404 ' HA ' HG21 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -50.42 -36.13 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.27 86.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.708 ' CD1' HG21 ' A' ' 42' ' ' VAL . 20.6 mt -60.59 -38.32 77.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.862 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.11 -40.53 81.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.444 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -63.88 -55.12 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.87 -20.8 54.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.63 ' CD1' HG22 ' A' ' 54' ' ' ILE . 18.9 mt -76.04 -62.02 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.486 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.6 p30 -65.87 -29.19 69.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 64.7 tt0 -48.71 -21.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.5 mt -74.85 -71.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.37 38.28 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.41 179.04 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.66 139.82 39.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.577 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.91 123.82 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.4 mt-10 -115.82 119.21 35.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.862 HG23 ' SG ' ' A' ' 55' ' ' CYS . 2.2 t -66.13 135.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 44' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.7 153.36 17.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 68' ' ' ILE . 14.6 pt-20 -106.2 168.71 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -145.32 132.85 20.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -85.33 130.33 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 43.4 t -103.93 124.65 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -125.59 44.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.13 22.67 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.887 ' CE ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -76.05 156.73 33.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 13.0 m -117.58 -36.33 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.876 ' SG ' HD11 ' A' ' 35' ' ' LEU . 6.4 t 84.36 75.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.16 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.86 5.57 4.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.3 m -66.84 -57.47 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.909 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.5 -49.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.13 -61.42 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.53 -42.69 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . 64.5 mt -70.54 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.8 -47.11 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -49.35 70.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.47 -44.03 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ILE . 48.5 t -69.94 -48.24 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' HG11 ' A' ' 31' ' ' VAL . . . -63.62 -10.53 37.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.0 tpt85 -88.33 -13.01 41.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.553 ' HB ' HG21 ' A' ' 28' ' ' VAL . 36.3 mm -64.28 123.32 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -65.23 113.35 3.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.18 -10.33 10.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.553 HG21 ' HB ' ' A' ' 25' ' ' ILE . 58.0 t -87.1 129.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -37.0 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -166.16 167.37 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.866 HG23 HG22 ' A' ' 42' ' ' VAL . 2.6 p -157.26 159.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' N ' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -155.46 164.17 39.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.909 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -135.34 152.31 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -111.16 97.27 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.979 HD13 ' N ' ' A' ' 36' ' ' LYS . 2.7 tm? -65.72 159.17 25.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.979 ' N ' HD13 ' A' ' 35' ' ' LEU . 12.3 tttp 49.93 22.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.2 mt-10 74.29 53.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -147.34 161.56 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.2 136.58 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -127.75 141.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.866 HG22 HG23 ' A' ' 31' ' ' VAL . 95.9 t -132.84 158.72 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.95 86.14 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CE1' ' HB1' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -127.29 177.22 6.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.97 128.17 42.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.4 -22.99 62.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.65 16.95 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.31 -47.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.6 p -134.13 167.96 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.457 ' N ' HG22 ' A' ' 49' ' ' VAL . 3.5 mt-30 -124.77 145.75 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HB1' ' CE2' ' A' ' 4' ' ' PHE . . . -56.39 -41.98 77.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.59 -29.73 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -44.33 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.572 HG23 HG13 ' A' ' 22' ' ' VAL . 3.3 mp -61.31 -39.31 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.644 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -56.37 -42.6 78.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.06 -44.19 97.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -33.63 71.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.786 HG21 ' HB2' ' A' ' 65' ' ' ALA . 17.3 mt -71.91 -60.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.1 -29.6 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.33 -10.37 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.89 -79.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 168.23 38.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -145.37 -173.57 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.79 136.98 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.786 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -139.1 118.21 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.4 mt-10 -110.33 126.84 54.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.587 HG23 ' SG ' ' A' ' 55' ' ' CYS . 87.2 t -75.01 137.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' OE1' ' CG1' ' A' ' 67' ' ' VAL . 2.5 mm-40 -105.75 150.5 25.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.917 ' CD ' HD12 ' A' ' 68' ' ' ILE . 6.2 pt-20 -106.28 166.0 10.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.752 ' HD2' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -145.89 124.28 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -87.87 130.02 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 64' ' ' GLN . 5.7 t -107.77 133.31 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -128.57 44.86 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.77 23.9 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.2 151.17 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 p -121.19 -39.22 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.945 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.53 ' SG ' HD21 ' A' ' 35' ' ' LEU . 3.9 t 89.39 160.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.299 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.59 76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.3 t-80 89.8 -19.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' VAL . 9.1 m -65.26 -60.9 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.974 HG13 HG11 ' A' ' 33' ' ' VAL . 2.7 t -38.69 -50.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.26 -54.54 23.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -44.66 -39.68 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.4 -64.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.67 -47.85 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.23 -51.21 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.07 -38.9 71.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.454 HG11 ' CG2' ' A' ' 42' ' ' VAL . 16.9 t -74.73 -41.36 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.99 60.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 5.0 ttm-85 -90.75 -13.23 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 49' ' ' VAL . 32.8 mm -66.04 118.5 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 29.3 t -65.37 95.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.98 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.74 -16.12 1.79 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.619 HG13 HG13 ' A' ' 42' ' ' VAL . 42.6 t -85.57 128.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -48.03 9.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -136.68 156.35 48.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG21 ' HB ' ' A' ' 22' ' ' VAL . 2.5 p -144.92 149.91 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.68 164.49 38.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.974 HG11 HG13 ' A' ' 15' ' ' VAL . 5.4 p -133.64 151.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.513 HE22 HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -124.5 90.27 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.53 HD21 ' SG ' ' A' ' 11' ' ' CYS . 12.8 tp -65.61 170.29 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 pttp 42.19 28.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 1.7 tttt -144.11 -38.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.1 mt-10 74.02 54.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -146.78 147.71 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -124.72 142.62 51.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.513 HG23 HE22 ' A' ' 34' ' ' GLN . 23.1 t -118.89 141.82 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.619 HG13 HG13 ' A' ' 28' ' ' VAL . 77.2 t -145.79 152.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -127.33 67.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.667 ' CZ ' ' HB2' ' A' ' 51' ' ' ALA . 24.3 p90 -109.69 -164.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.477 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 4.3 t70 -143.34 143.45 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -70.75 -6.79 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.33 -17.96 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.499 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -111.48 -55.77 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' CG2' ' A' ' 25' ' ' ILE . 25.2 t -143.72 159.67 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.1 mt-30 -101.96 145.03 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -55.88 -45.08 78.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -37.21 57.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -43.79 92.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.52 HD11 ' CG2' ' A' ' 28' ' ' VAL . 96.4 mt -61.11 -37.46 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -63.3 -40.28 96.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.457 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -60.09 -57.65 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.51 52.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 7.5 mt -74.19 -60.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.477 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.5 p30 -66.27 -30.3 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 9.3 tt0 -50.04 -20.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.2 mt -73.93 -70.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.18 37.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.67 179.29 7.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.737 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -105.72 141.9 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.495 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -147.5 150.15 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.0 pt-20 -153.55 126.05 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.752 HG22 ' HD2' ' A' ' 4' ' ' PHE . 89.7 t -68.94 148.38 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.917 HD12 ' CD ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -147.61 159.74 43.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.5 pt-20 -132.51 166.42 22.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.657 ' HE2' ' HB1' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -146.27 133.69 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 65' ' ' ALA . 2.2 t -87.53 131.68 34.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 42.9 t -107.75 131.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -134.11 48.99 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 27.4 0.18 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.62 149.78 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -121.41 -40.24 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.6 t 89.19 173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.7 OUTLIER 74.08 69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.2 t60 89.81 -12.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.568 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -65.7 -57.25 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -42.69 -48.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.51 -57.35 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -44.23 -45.13 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.21 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.68 -49.73 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -65.1 -48.22 74.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.78 -46.23 81.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.48 HG11 ' CG2' ' A' ' 42' ' ' VAL . 53.4 t -70.35 -32.17 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.575 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -76.64 -23.08 70.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -76.56 -5.52 48.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.839 HG21 HG12 ' A' ' 54' ' ' ILE . 37.5 mm -68.27 119.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -64.87 103.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.92 -5.0 5.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.4 t -94.0 142.74 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.31 -39.74 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -140.21 148.25 41.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG11 ' CA ' ' A' ' 23' ' ' GLY . 1.6 p -154.83 145.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 30.3 tttt -155.39 164.92 38.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' HG13 ' A' ' 15' ' ' VAL . 5.0 p -134.37 156.92 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 30.5 mm-40 -130.35 103.41 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.8 161.26 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp 54.03 18.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HD2' ' CB ' ' A' ' 34' ' ' GLN . 7.9 tttt -122.33 -36.24 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 72.2 mt-10 69.44 42.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.4 146.85 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.5 143.1 51.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 11.0 p -107.56 143.47 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' CD2' ' A' ' 44' ' ' PHE . 73.4 t -145.71 146.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.54 96.78 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.649 ' CE2' HD12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -129.9 -179.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -95.38 131.67 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.59 -23.41 60.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.5 17.01 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -46.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.504 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.4 p -133.7 166.39 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' N ' HG22 ' A' ' 49' ' ' VAL . 2.0 mm-40 -104.37 -101.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.657 ' HB1' ' HE2' ' A' ' 4' ' ' PHE . . . -174.92 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.757 ' HA ' HG21 ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.37 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -43.23 87.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.839 HG12 HG21 ' A' ' 25' ' ' ILE . 34.7 mt -59.44 -40.35 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.498 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 0.1 OUTLIER -56.26 -41.38 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -32.19 57.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -65.4 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.802 HG21 ' HB2' ' A' ' 65' ' ' ALA . 1.9 mp -64.8 -58.6 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 61' ' ' LEU . 12.4 m-20 -54.15 -25.87 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.66 31.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' H ' ' C ' ' A' ' 59' ' ' ASN . 3.8 mt -141.38 -75.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.02 39.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.1 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.13 143.55 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.802 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.93 131.13 18.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -124.87 121.81 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.757 HG21 ' HA ' ' A' ' 52' ' ' THR . 98.1 t -67.29 140.25 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -100.16 166.98 10.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.5 pt-20 -106.06 149.55 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.538 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -134.64 131.45 37.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.517 ' CB ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -82.95 125.95 31.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 6' ' ' VAL . 5.1 p -103.17 118.48 50.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' CB ' ' HB2' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -123.73 -172.87 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.05 16.53 6.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.476 ' SD ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.3 146.11 41.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 14.1 m -88.72 -39.91 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.9 ' SG ' HD21 ' A' ' 35' ' ' LEU . 4.4 t 96.34 61.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -144.03 -81.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.633 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 16.3 t60 -124.91 15.46 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 9' ' ' MET . 8.6 m -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.905 HG21 ' HB2' ' A' ' 35' ' ' LEU . 2.8 t -37.48 -51.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' ND1' ' A' ' 13' ' ' HIS . . . -65.88 -45.17 83.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -54.71 -47.71 73.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 1.003 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.3 mm -63.89 -56.07 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.81 ' HG2' HG22 ' A' ' 31' ' ' VAL . 1.1 tm-20 -53.14 -50.94 63.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.85 -46.11 79.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -54.14 -30.73 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.003 HG23 ' O ' ' A' ' 18' ' ' ILE . 65.0 t -73.21 -38.72 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.63 -9.43 38.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -87.01 -23.88 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 22' ' ' VAL . 10.2 mt -68.24 114.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -64.59 99.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.31 -12.48 3.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG11 HG12 ' A' ' 22' ' ' VAL . 2.2 t -82.83 132.04 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.45 -48.94 3.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -126.2 151.43 47.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.982 HG21 ' HB ' ' A' ' 22' ' ' VAL . 3.5 p -155.79 144.42 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -155.45 161.75 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 85.5 t -150.98 148.71 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.437 ' HG3' ' NZ ' ' A' ' 32' ' ' LYS . 6.3 mt-30 -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.905 ' HB2' HG21 ' A' ' 15' ' ' VAL . 13.0 tp -65.66 164.97 13.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 54.63 18.59 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -41.83 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' SER . 20.0 mt-10 76.4 30.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -140.69 138.7 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB1' HG22 ' A' ' 33' ' ' VAL . . . -127.9 149.18 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -122.64 135.75 61.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 HG23 ' A' ' 31' ' ' VAL . 65.6 t -134.9 153.02 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -131.85 98.43 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 54' ' ' ILE . 3.2 p90 -133.88 -179.59 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -96.05 132.18 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.41 -23.24 57.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.44 13.38 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 -52.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.441 HG11 HG21 ' A' ' 25' ' ' ILE . 41.2 t -134.42 155.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -114.08 147.22 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.506 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -55.69 -41.49 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.7 t -54.01 -45.55 71.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.99 -38.32 88.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.633 HD12 ' CZ ' ' A' ' 44' ' ' PHE . 97.0 mt -62.38 -38.37 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -64.84 -42.87 94.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.95 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.844 HD12 HG23 ' A' ' 18' ' ' ILE . 16.0 mm -79.62 -45.51 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -65.01 -31.42 72.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -10.46 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.7 mt -80.49 -75.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 164.97 42.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.611 ' CE2' HD11 ' A' ' 18' ' ' ILE . 1.4 m-85 -145.05 -177.01 5.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.506 ' HB2' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -105.31 97.23 7.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.686 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -102.46 120.46 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.1 mm-40 -114.14 139.59 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.432 HG22 ' SG ' ' A' ' 55' ' ' CYS . 88.0 t -85.69 129.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.517 HD11 ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' H2 ' HG13 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mm100 -131.29 125.23 32.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 15.6 pt-20 -86.37 146.32 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.674 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -127.74 129.31 46.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.603 ' H ' HD13 ' A' ' 68' ' ' ILE . 1.9 t -85.33 131.06 34.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 20.4 t -107.42 135.8 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -134.07 45.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.16 24.64 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 152.11 38.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.8 m -118.83 -36.36 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.723 ' SG ' HD21 ' A' ' 35' ' ' LEU . 5.4 t 88.14 52.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.521 ' ND2' ' C ' ' A' ' 11' ' ' CYS . 1.1 m120 -145.37 56.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 85.1 7.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m -65.92 -59.98 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.8 t -40.37 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.45 65.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.745 HG23 HG12 ' A' ' 58' ' ' ILE . 55.8 mt -73.43 -63.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HG2' HG13 ' A' ' 31' ' ' VAL . 2.4 tm-20 -48.98 -39.08 25.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -53.75 38.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -51.71 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 54' ' ' ILE . 40.9 t -54.65 -35.6 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.36 -14.59 82.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -87.9 -12.92 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.82 121.05 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -65.59 99.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.12 -12.36 3.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.799 HG22 ' HB3' ' A' ' 44' ' ' PHE . 30.7 t -91.7 134.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 4.7 tttt -99.22 -47.81 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 5.0 mmmt -131.34 156.56 45.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.431 HG13 ' HG2' ' A' ' 19' ' ' GLU . 5.1 p -155.29 151.22 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' C ' HG23 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -155.72 166.82 32.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.543 HG22 ' CB ' ' A' ' 40' ' ' ALA . 76.8 t -153.33 141.72 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 6.8 mm-40 -119.78 120.33 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.723 HD21 ' SG ' ' A' ' 11' ' ' CYS . 15.0 tp -67.12 -46.53 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -85.06 42.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -145.96 -39.04 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.8 mt-10 70.64 29.98 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -153.26 137.54 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.543 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -105.44 152.35 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.43 147.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG13 ' H2 ' ' A' ' 1' ' ' ALA . 11.6 p -133.77 152.65 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -129.32 65.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.799 ' HB3' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -115.2 -176.87 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -21.05 54.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.18 8.67 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.46 -46.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 50' ' ' GLN . 60.6 t -135.57 166.69 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.515 ' N ' HG12 ' A' ' 49' ' ' VAL . 4.2 mm100 -117.61 141.74 48.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.674 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -57.9 -41.69 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.64 -39.04 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.99 92.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.643 HG23 HG22 ' A' ' 22' ' ' VAL . 73.4 mt -62.58 -38.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.525 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -60.85 -42.14 97.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 108.323 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -58.29 -40.04 80.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.64 -34.81 74.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.745 HG12 HG23 ' A' ' 18' ' ' ILE . 5.8 mt -72.04 -49.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -65.05 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -14.84 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.8 mt -78.64 -72.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.12 39.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.93 -173.94 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.7 tp60 -105.82 129.95 53.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -146.05 127.53 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -126.2 150.85 48.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.971 ' C ' HD12 ' A' ' 68' ' ' ILE . 87.9 t -84.92 122.58 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.971 HD12 ' C ' ' A' ' 67' ' ' VAL . 1.8 mp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.73 140.63 49.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 pt-20 -93.79 152.0 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 1.3 m-85 -137.24 128.5 27.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 2.5 t -82.52 130.62 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 11.1 t -110.82 123.07 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -122.65 48.34 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.85 24.4 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.95 151.14 37.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.473 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -126.4 -0.35 6.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.972 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' SG ' HD21 ' A' ' 35' ' ' LEU . 0.9 OUTLIER 57.68 -152.31 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER 67.54 -71.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -142.09 9.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.6 m -68.46 -59.24 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.0 t -36.98 -50.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.0 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -45.51 -40.88 9.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.857 HG23 HD12 ' A' ' 58' ' ' ILE . 59.8 mt -72.93 -61.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HG2' HG13 ' A' ' 31' ' ' VAL . 2.0 tm-20 -47.55 -50.41 23.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.29 -49.0 73.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -55.51 -39.53 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.845 ' CG2' HD11 ' A' ' 58' ' ' ILE . 78.8 t -73.29 -31.56 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.926 ' HA2' HG11 ' A' ' 28' ' ' VAL . . . -81.49 6.61 64.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.31 -16.67 23.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.03 HD13 HG12 ' A' ' 54' ' ' ILE . 12.9 mt -64.27 124.12 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -65.49 94.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.44 -15.74 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.926 HG11 ' HA2' ' A' ' 23' ' ' GLY . 1.2 p -77.54 142.49 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HG2' ' CG ' ' A' ' 30' ' ' LYS . 24.4 tttp -111.85 -46.76 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 29' ' ' LYS . 1.7 mttp -135.3 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 19' ' ' GLU . 2.5 p -156.39 146.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -154.73 165.29 37.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -139.76 144.41 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.79 97.06 6.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.482 HD21 ' SG ' ' A' ' 11' ' ' CYS . 29.8 tp -61.01 163.72 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.79 19.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -128.07 -45.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 39' ' ' LYS . 13.5 mt-10 81.64 43.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.257 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.04 153.57 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.59 140.04 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -112.24 152.06 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.51 ' CG1' ' CD2' ' A' ' 44' ' ' PHE . 95.1 t -146.8 157.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -134.89 76.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -111.99 -179.63 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 49' ' ' VAL . 49.0 t0 -93.6 123.37 36.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -78.03 -4.71 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.465 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -79.0 -25.88 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -115.03 -67.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.614 HG11 ' HB2' ' A' ' 44' ' ' PHE . 8.4 p -84.75 164.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -112.23 -101.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.14 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.853 ' HA ' HG21 ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.27 -36.59 83.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -34.74 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.03 HG12 HD13 ' A' ' 25' ' ' ILE . 93.9 mt -66.11 -36.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.507 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -61.37 -41.43 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -36.33 63.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.66 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.857 HD12 HG23 ' A' ' 18' ' ' ILE . 17.4 mm -68.9 -53.16 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -62.71 -26.41 68.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.26 -11.78 34.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.8 mt -86.18 -77.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.81 37.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.16 -173.59 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.41 142.87 34.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.659 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.78 126.29 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.9 mt-10 -124.84 117.77 24.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.853 HG21 ' HA ' ' A' ' 52' ' ' THR . 10.9 t -67.67 131.79 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.442 HD11 ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 77.86 112.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 15.4 pt-20 -88.45 164.49 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -129.01 126.98 40.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.707 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.8 t -79.81 128.05 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 2.8 t -98.4 125.93 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -125.18 44.54 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.95 25.66 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.67 ' CE ' HD13 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -73.9 143.15 45.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.19 -18.88 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.8 OUTLIER 87.8 -154.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.344 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.7 m120 80.43 -67.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.414 ' NE2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -162.76 27.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.9 m -67.05 -56.98 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.442 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.9 t -39.49 -49.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.14 -59.18 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -46.17 -43.98 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 22' ' ' VAL . 72.9 mt -64.71 -59.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.36 -49.02 65.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.33 -45.28 84.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -55.61 -38.24 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' ILE . 82.7 t -73.47 -51.28 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.4 -22.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -15.17 60.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.793 HG21 HG11 ' A' ' 49' ' ' VAL . 28.7 mm -70.69 111.68 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -60.39 100.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.77 -13.22 2.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.11 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 44' ' ' PHE . 5.7 t -90.13 128.57 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -91.22 -49.04 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.56 153.18 51.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.81 HG23 HG22 ' A' ' 42' ' ' VAL . 2.3 p -156.42 148.39 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -148.67 164.33 34.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG22 ' HB1' ' A' ' 40' ' ' ALA . 43.0 t -149.54 140.72 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 21.5 mp0 -123.3 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD13 ' CE ' ' A' ' 9' ' ' MET . 20.5 tp -67.13 -48.35 68.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -83.56 42.2 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 7.6 tttt -146.52 -37.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 71.25 35.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.04 151.17 28.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB1' HG22 ' A' ' 33' ' ' VAL . . . -124.7 128.26 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 14.7 p -97.87 147.17 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.81 HG22 HG23 ' A' ' 31' ' ' VAL . 86.0 t -143.75 144.04 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -118.72 81.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.814 ' HB3' HG22 ' A' ' 28' ' ' VAL . 10.3 p90 -130.14 172.51 11.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . 17.6 t0 -99.22 138.45 36.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 1.6 tt0 -76.69 -4.06 41.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 -28.06 25.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -100.9 -53.65 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.793 HG11 HG21 ' A' ' 25' ' ' ILE . 25.9 t -133.7 144.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -106.03 150.2 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.414 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -55.3 -47.83 75.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.1 -40.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -46.52 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.27 -39.15 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.49 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -55.39 -42.82 74.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.285 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -57.53 -45.97 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -34.33 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.641 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 23.5 mt -73.3 -58.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 63' ' ' TYR . 1.6 m120 -55.07 -30.7 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.3 -11.16 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' CB ' ' CE2' ' A' ' 63' ' ' TYR . 24.2 mt -79.46 -28.77 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.488 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 115.24 17.93 6.48 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' CB ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -124.65 -171.26 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -105.05 137.93 42.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.641 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -143.29 136.08 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -141.97 127.97 19.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 4' ' ' PHE . 85.4 t -64.97 136.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 66' ' ' GLU . 1.5 mp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.836 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.2 tp60 -136.71 163.68 30.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.7 OUTLIER -133.65 135.85 44.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.902 ' CZ ' HG11 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -116.33 132.34 56.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.765 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.9 t -85.51 126.64 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.033 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 38' ' ' GLU . 5.1 p -99.28 131.63 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -138.37 50.63 1.88 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 25.79 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.84 145.4 40.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 83.4 p -106.41 -41.84 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 96.5 58.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -144.46 -80.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -130.26 12.17 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' ' 63' ' ' TYR . 36.1 m -65.92 -57.68 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.992 HG13 ' CG1' ' A' ' 33' ' ' VAL . 3.3 t -39.68 -49.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.58 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -49.48 7.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.34 -55.54 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 1.6 tm-20 -53.28 -50.39 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 19' ' ' GLU . 1.3 tt0 -65.24 -45.23 85.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.05 -36.19 38.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.995 HG12 HG11 ' A' ' 28' ' ' VAL . 29.1 t -72.28 -64.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.69 -20.44 2.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -31.83 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 22' ' ' VAL . 5.7 mt -64.11 121.38 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' VAL . 21.1 t -63.64 96.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.02 -21.68 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.995 HG11 HG12 ' A' ' 22' ' ' VAL . 51.7 t -87.26 120.78 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.39 -51.85 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -137.9 153.26 49.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.695 HG21 HG11 ' A' ' 22' ' ' VAL . 3.0 p -156.51 155.41 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 3.3 ttpp -154.86 164.25 39.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.992 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -134.8 145.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.14 106.32 10.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.505 HD13 ' SD ' ' A' ' 9' ' ' MET . 36.6 tp -62.51 160.09 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 1.3 tttp 57.96 16.42 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -119.45 -34.92 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HA ' HG12 ' A' ' 6' ' ' VAL . 58.1 mt-10 67.77 33.78 4.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -151.23 144.25 24.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.83 137.05 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.6 p -95.14 134.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.902 HG11 ' CZ ' ' A' ' 4' ' ' PHE . 11.1 p -124.31 148.51 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' LYS . 53.1 tttt -129.04 73.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.742 ' HB3' HG22 ' A' ' 28' ' ' VAL . 19.6 p90 -121.88 -163.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -143.36 144.94 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -5.91 46.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -18.71 42.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.62 -53.29 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG11 ' CG2' ' A' ' 25' ' ' ILE . 24.8 t -147.05 155.54 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -97.9 146.22 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.755 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -56.29 -45.93 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.4 t -47.64 -46.22 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -66.59 -35.42 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 51' ' ' ALA . 65.1 mt -62.86 -37.9 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.512 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -56.33 -41.71 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.97 74.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.769 ' CB ' HD11 ' A' ' 25' ' ' ILE . . . -53.69 -33.83 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.736 HG21 ' HB2' ' A' ' 65' ' ' ALA . 3.4 mt -73.78 -57.19 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -55.92 -29.11 59.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.88 -11.0 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.8 mt -84.52 -76.03 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.55 40.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -145.11 -171.46 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 110.976 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -105.95 129.86 54.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -137.92 135.74 36.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.65 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -140.48 131.35 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.468 ' C ' HD12 ' A' ' 68' ' ' ILE . 92.1 t -67.79 134.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 5' ' ' SER . 1.6 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.872 ' O ' HG12 ' A' ' 42' ' ' VAL . 1.5 mm100 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.439 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt-20 -134.45 159.47 40.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.769 ' CZ ' HG11 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -137.48 146.53 44.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.817 ' HB2' HD11 ' A' ' 68' ' ' ILE . 1.9 t -97.6 132.19 43.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 57.4 t -104.71 128.92 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -129.01 46.7 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.78 24.12 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 ttm -75.11 153.34 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 58.6 m -118.21 -36.1 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.608 ' SG ' HD21 ' A' ' 35' ' ' LEU . 6.0 t 87.61 53.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.63 69.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 t60 77.6 0.3 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.641 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' VAL . 22.8 m -65.99 -59.02 4.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.488 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.8 t -40.6 -49.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.28 -56.73 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.7 -48.16 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.98 ' O ' HG23 ' A' ' 22' ' ' VAL . 50.7 mt -63.54 -57.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -49.35 -53.62 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.75 -45.37 86.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.33 -35.83 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 18' ' ' ILE . 48.2 t -73.09 -54.01 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' N ' HG11 ' A' ' 31' ' ' VAL . . . -52.84 -18.93 6.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -18.83 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.609 ' CD1' HG23 ' A' ' 54' ' ' ILE . 13.6 mt -64.33 113.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 31.2 t -59.41 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.05 -18.64 1.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.874 HG22 ' HB3' ' A' ' 44' ' ' PHE . 6.4 t -87.93 130.76 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -84.59 -48.18 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.07 141.2 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 41' ' ' VAL . 1.7 p -136.76 151.59 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -140.09 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.488 ' HB ' HG13 ' A' ' 15' ' ' VAL . 56.8 t -142.22 139.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -118.42 107.3 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD21 ' SG ' ' A' ' 11' ' ' CYS . 63.8 tp -65.27 161.78 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' H ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER 58.1 15.82 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 11.5 tttt -120.81 -35.86 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 13.5 mt-10 69.02 41.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.57 145.0 21.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.71 134.86 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 p -98.3 133.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 2' ' ' GLN . 11.8 p -122.29 145.8 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -126.25 74.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.874 ' HB3' HG22 ' A' ' 28' ' ' VAL . 29.6 p90 -120.59 -163.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.465 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 5.2 t0 -143.16 144.75 32.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.16 -12.35 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 6.58 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.28 -51.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 25' ' ' ILE . 28.8 t -150.42 159.21 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 2.2 mp0 -103.48 145.5 29.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.736 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -55.99 -44.85 79.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -46.49 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -36.69 84.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 51' ' ' ALA . 52.1 mt -62.08 -36.92 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.754 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -59.97 -42.56 94.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tp60 -58.67 -45.5 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HB3' HD11 ' A' ' 25' ' ' ILE . . . -54.67 -29.26 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.7 mt -78.31 -48.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -65.19 -28.03 69.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -65.51 -9.6 27.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.9 mt -81.17 -77.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.66 39.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.13 -174.16 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.9 tt0 -105.28 111.85 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -120.2 141.89 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -151.51 132.86 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.453 ' CG1' ' NE2' ' A' ' 2' ' ' GLN . 90.7 t -63.99 123.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 5' ' ' SER . 97.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.552 ' HG2' HG13 ' A' ' 67' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.49 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 3.8 pt-20 -94.88 161.05 14.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -136.06 151.08 49.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.508 ' CA ' HD11 ' A' ' 68' ' ' ILE . 1.8 t -98.4 131.19 44.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 t -100.68 136.32 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' GLN . 3.7 mttt -135.6 162.57 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.42 -14.84 21.06 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.418 ' CG ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -63.68 147.07 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.736 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 25.0 p -145.01 16.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 90.48 -134.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 67.15 19.32 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 87.98 21.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' CG ' ' A' ' 9' ' ' MET . 9.9 m -66.66 -50.37 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.59 -48.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.15 -58.39 6.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -45.22 -49.0 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' VAL . 63.6 mt -62.63 -55.62 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.63 -53.92 21.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -65.29 -47.99 74.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.1 -34.11 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.671 ' CG1' HG21 ' A' ' 31' ' ' VAL . 21.1 t -75.0 -34.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -3.66 54.36 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -89.02 -15.95 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.507 HD13 HG12 ' A' ' 54' ' ' ILE . 13.8 mt -65.13 108.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -57.95 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.74 -14.05 2.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 44' ' ' PHE . 25.0 t -83.87 131.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -47.49 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.08 145.02 50.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.671 HG21 ' CG1' ' A' ' 22' ' ' VAL . 2.4 p -149.25 144.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 6.1 tttt -155.02 167.24 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.544 HG22 ' CB ' ' A' ' 40' ' ' ALA . 79.5 t -150.6 133.06 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 89.5 mm-40 -108.91 122.31 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tp -67.28 -48.51 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.48 43.36 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -147.1 -37.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.7 mt-10 71.41 33.71 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -151.24 160.51 43.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 10.3 p -98.52 144.42 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.757 HG12 ' HD1' ' A' ' 44' ' ' PHE . 80.4 t -145.44 141.91 22.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -127.03 85.64 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.757 ' HD1' HG12 ' A' ' 42' ' ' VAL . 16.1 p90 -120.47 -179.95 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -96.55 132.86 41.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.77 -23.92 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.11 13.0 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.28 -53.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.7 t -134.68 160.01 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 36.4 mm-40 -113.09 147.18 37.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -55.57 -46.12 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 t -51.01 -42.31 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.04 93.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.59 HD13 HG11 ' A' ' 42' ' ' VAL . 70.8 mt -60.64 -36.83 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.568 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -63.19 -41.78 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -58.9 -44.81 91.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.18 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.5 mt -79.74 -46.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -65.04 -30.03 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.3 tt0 -65.15 -9.75 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.2 mt -82.02 -76.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 167.82 39.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.37 166.75 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.2 tp60 -90.46 91.76 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -106.7 140.27 39.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.43 ' CA ' ' SG ' ' A' ' 55' ' ' CYS . 2.8 pt-20 -154.5 143.75 21.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 2' ' ' GLN . 88.4 t -64.2 132.88 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.508 HD11 ' CA ' ' A' ' 5' ' ' SER . 57.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.508 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 13.3 pt-20 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.3 138.36 53.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.679 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.1 t -93.73 133.74 36.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 64' ' ' GLN . 77.6 t -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.19 48.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.71 27.09 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.408 ' CE ' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -75.37 157.68 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -109.65 -29.91 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 7.2 t 83.04 133.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.7 m-20 81.09 95.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.523 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER 89.4 -29.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 10' ' ' SER . 18.8 m -63.93 -58.59 6.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.33 -48.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.53 -53.9 35.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -44.65 -48.72 10.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.607 HG23 HG12 ' A' ' 58' ' ' ILE . 63.0 mt -63.73 -59.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -53.74 21.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.41 97.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -53.92 -38.43 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.811 ' HB ' HG21 ' A' ' 31' ' ' VAL . 71.9 t -75.34 -50.72 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.13 -23.5 17.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -17.11 60.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.3 mm -68.78 114.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -64.93 96.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.68 -16.72 2.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.6 t -78.8 134.15 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -96.27 -46.47 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -135.79 156.67 48.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.811 HG21 ' HB ' ' A' ' 22' ' ' VAL . 2.9 p -155.17 143.5 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 ttmm -150.06 166.14 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 32' ' ' LYS . 39.2 t -155.22 133.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.7 mp0 -115.81 120.04 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -67.21 -47.73 70.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.1 42.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -146.79 -36.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.9 mt-10 72.52 19.66 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -135.74 157.59 46.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -124.64 138.28 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.28 138.99 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 31' ' ' VAL . 39.7 t -143.87 153.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -131.08 95.31 3.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 1.5 p90 -130.02 177.56 7.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.94 131.88 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.64 -24.4 56.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 12.08 10.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.64 -51.2 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.8 t -134.74 149.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -108.97 145.79 34.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.576 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.26 -45.23 80.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.67 -41.19 42.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -43.08 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -43.0 99.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -38.91 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.79 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.607 HG12 HG23 ' A' ' 18' ' ' ILE . 10.1 mt -68.7 -55.07 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -60.97 -28.48 69.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.13 -12.27 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.5 mt -83.75 -76.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.72 38.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.03 177.71 8.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 0.717 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.53 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.15 133.41 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.495 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -143.06 153.76 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -155.07 134.26 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.489 ' C ' HD12 ' A' ' 68' ' ' ILE . 80.1 t -69.1 137.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.679 HD13 ' HB3' ' A' ' 5' ' ' SER . 1.5 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.49 ' OE1' HG22 ' A' ' 67' ' ' VAL . 1.9 mm-40 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -134.05 153.9 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.616 ' CD2' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -127.76 129.07 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -85.1 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 45.2 t -104.42 137.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -139.58 44.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.74 25.39 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.28 146.81 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -110.23 -37.84 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.5 t 88.64 156.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.32 78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 89.61 -16.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.9 m -65.88 -58.9 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.864 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -42.45 -48.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -54.98 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.51 -43.98 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.0 mt -67.3 -62.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' OE1' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.33 -49.2 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -65.3 -45.42 84.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -57.76 -44.0 85.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.694 ' CG1' HG21 ' A' ' 31' ' ' VAL . 25.1 t -74.1 -40.87 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.95 -13.16 46.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -85.93 -12.85 49.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.74 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.967 ' CG2' HG21 ' A' ' 49' ' ' VAL . 31.4 mm -67.92 122.27 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -65.38 107.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.63 -21.11 4.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.532 HG13 ' CG2' ' A' ' 42' ' ' VAL . 48.6 t -82.09 121.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 1.9 tttm -85.48 -54.37 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 10.1 mmtt -131.57 151.94 51.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.694 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.1 p -156.54 148.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.86 164.43 38.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.864 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.5 p -138.05 141.05 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 15.5 mm-40 -118.58 121.34 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.24 -46.66 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.27 41.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.8 tttt -146.29 -39.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.0 mt-10 70.98 29.25 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.2 138.92 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -101.06 136.85 40.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 t -103.8 129.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.573 HG11 ' HZ ' ' A' ' 4' ' ' PHE . 12.2 p -120.32 153.34 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' LYS . 7.0 tttm -126.76 67.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.651 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 29.4 p90 -113.86 -162.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' VAL . 9.9 t0 -142.92 142.58 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -8.34 55.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 5.17 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.27 -53.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.967 HG21 ' CG2' ' A' ' 25' ' ' ILE . 9.1 p -138.27 150.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.88 143.71 34.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.57 -42.77 34.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -37.56 86.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.463 HG23 HG22 ' A' ' 22' ' ' VAL . 33.3 mt -60.18 -38.74 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.18 -41.94 85.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.86 -42.61 99.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.44 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 11.5 mt -67.52 -50.4 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.42 -27.46 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 mm-40 -65.19 -9.97 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.9 mt -81.29 -76.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.72 39.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.96 -176.52 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.29 118.25 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -133.61 149.41 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' SER . 8.5 mm-40 -154.97 131.13 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -68.97 123.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 67' ' ' VAL . 1.4 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.671 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.533 ' N ' ' HG3' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -130.49 153.52 48.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.576 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -128.59 147.43 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -100.19 128.67 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 64' ' ' GLN . 29.1 t -103.68 143.62 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -143.86 42.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.87 23.19 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.473 ' SD ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.06 153.06 39.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 0.789 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 57.0 m -112.48 -22.81 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.7 OUTLIER 86.66 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.33 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.5 m120 78.77 -67.18 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -157.51 25.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.3 m -66.39 -56.12 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.344 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.697 HG22 HG12 ' A' ' 33' ' ' VAL . 2.7 t -41.74 -49.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.43 -49.99 67.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.65 -47.42 70.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 22' ' ' VAL . 48.6 mt -68.05 -52.17 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -52.68 -53.5 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -64.27 -44.74 90.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -58.51 -42.96 88.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 18' ' ' ILE . 60.5 t -67.03 -54.56 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.82 -19.92 3.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -13.75 60.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 16.3 mt -68.18 117.61 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.8 t -64.8 108.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.06 -20.19 4.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.665 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.7 t -80.52 125.95 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -49.7 7.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -135.52 159.56 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 42' ' ' VAL . 5.0 p -155.59 152.0 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.58 167.86 29.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.697 HG12 HG22 ' A' ' 15' ' ' VAL . 78.1 t -155.23 141.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 17.5 mp0 -124.24 117.5 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.6 tm? -66.63 -45.17 79.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.63 41.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -145.52 -43.58 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 37' ' ' LYS . 2.0 mt-10 79.09 28.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -150.99 140.24 21.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.486 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -104.92 138.47 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 t -104.77 133.46 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.817 HG22 HG23 ' A' ' 31' ' ' VAL . 98.1 t -137.38 144.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -124.94 95.95 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.665 ' HB3' HG22 ' A' ' 28' ' ' VAL . 2.4 p90 -135.22 178.5 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 49' ' ' VAL . 62.4 t0 -95.72 124.87 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.22 -5.32 46.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.54 -32.53 28.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -107.33 -70.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 45' ' ' ASP . 36.6 t -88.7 154.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.78 156.44 43.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.671 ' HB2' ' OE1' ' A' ' 2' ' ' GLN . . . -56.88 -37.16 70.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.77 -45.86 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 22' ' ' VAL . 18.0 mt -65.57 -39.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.56 ' HG ' ' HD2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -66.46 -44.25 83.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 108.312 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.65 -50.41 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.93 -32.78 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.626 HG21 ' HB2' ' A' ' 65' ' ' ALA . 52.2 mt -73.49 -65.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -52.79 -26.99 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.1 tt0 -65.0 -11.53 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.5 mt -84.06 -76.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.22 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.71 -173.37 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.644 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -106.59 134.74 49.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.22 133.33 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 mt-10 -125.79 142.07 51.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 68' ' ' ILE . 98.6 t -76.14 119.58 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 67' ' ' VAL . 1.5 mp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 15.2 pt-20 -105.23 164.75 11.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.703 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -133.88 129.97 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.448 ' N ' HD11 ' A' ' 68' ' ' ILE . 3.3 t -79.51 128.43 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 64' ' ' GLN . 27.3 t -107.35 116.43 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -113.03 49.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.43 24.82 0.22 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -75.38 158.23 33.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 11.8 m -113.25 -23.18 10.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.74 ' SG ' HD21 ' A' ' 35' ' ' LEU . 18.7 t 68.47 67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.522 ' OD1' ' CB ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -166.65 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -122.21 -1.43 9.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.569 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' VAL . 17.5 m -66.77 -59.34 3.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.794 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -36.88 -50.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.24 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -44.91 -45.54 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.42 -58.77 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.42 -43.83 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.53 -47.72 74.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.77 -56.24 14.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.597 ' CG1' HG21 ' A' ' 31' ' ' VAL . 68.0 t -54.35 -33.44 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.528 ' HA2' HG11 ' A' ' 31' ' ' VAL . . . -75.51 -19.54 79.23 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -9.7 58.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.0 113.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -65.16 96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.51 -13.25 2.73 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' A' ' 44' ' ' PHE . 9.0 t -85.46 124.14 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -49.86 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -132.38 148.24 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.597 HG21 ' CG1' ' A' ' 22' ' ' VAL . 1.5 p -155.49 140.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 164.25 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.794 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -138.93 142.74 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.19 106.93 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.74 HD21 ' SG ' ' A' ' 11' ' ' CYS . 38.3 tp -63.01 155.75 26.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt 63.39 9.87 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -117.5 -34.91 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 5' ' ' SER . 5.5 mt-10 68.85 35.47 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -144.09 144.58 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.651 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -130.35 131.62 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.06 145.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.757 HG12 ' HD1' ' A' ' 44' ' ' PHE . 72.7 t -143.19 140.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -124.71 86.13 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.757 ' HD1' HG12 ' A' ' 42' ' ' VAL . 15.8 p90 -122.08 -179.83 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -96.61 131.27 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.44 -23.13 56.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 14.08 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.22 -52.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.61 158.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -116.06 144.12 44.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.581 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.75 -43.66 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.83 -40.67 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -45.43 84.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.58 HD13 HG11 ' A' ' 42' ' ' VAL . 84.9 mt -58.89 -37.59 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.651 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.1 -41.35 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 5.1 tp60 -65.51 -42.64 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -21.64 66.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.797 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 29.5 mt -76.33 -63.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.492 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 5.0 p30 -65.36 -28.55 69.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.3 mm-40 -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 10.6 mt -77.7 -74.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 178.72 35.98 0.06 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.22 -171.0 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 6' ' ' VAL . 1.5 tt0 -105.16 154.56 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.797 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -146.28 141.0 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.5 OUTLIER -143.18 114.96 8.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.651 HG23 ' SG ' ' A' ' 55' ' ' CYS . 70.8 t -64.9 130.87 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 7.6 pt-20 -105.95 157.72 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.713 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -136.39 131.62 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 65' ' ' ALA . 2.2 t -78.97 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 86.2 t -146.77 141.59 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -155.12 48.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.03 26.6 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.684 ' SD ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.78 144.79 41.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 28.0 m -116.69 -32.45 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 92.07 -147.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.9 m-80 66.35 33.12 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 90.07 16.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.605 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m -66.63 -52.88 40.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.0 t -39.86 -49.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -43.38 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.6 mt -69.93 -60.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -45.51 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.52 -53.24 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.25 83.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 25' ' ' ILE . 50.3 t -55.44 -39.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA2' HG11 ' A' ' 28' ' ' VAL . . . -62.14 -11.43 32.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -81.92 -7.65 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.714 ' CD1' HG23 ' A' ' 54' ' ' ILE . 18.8 mt -65.33 114.12 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 49' ' ' VAL . 6.1 t -65.16 96.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.02 -7.01 4.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.613 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -83.56 136.4 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -45.72 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -137.32 156.48 48.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 42' ' ' VAL . 2.1 p -149.09 145.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -155.16 169.53 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' LYS . 3.7 t -151.91 154.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 10.8 mt-30 -136.04 104.95 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.684 HD12 ' SD ' ' A' ' 9' ' ' MET . 1.3 tt -67.68 -45.37 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 39.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 2.6 tttt -147.46 -43.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 3.4 mt-10 84.83 34.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HE2' ' CE ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -154.3 171.29 19.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -140.49 150.35 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.9 t -122.17 139.27 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.613 ' CG1' ' CG2' ' A' ' 28' ' ' VAL . 76.8 t -143.72 142.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -114.68 99.78 7.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 51' ' ' ALA . 45.0 p90 -129.7 -161.82 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 47' ' ' ALA . 20.1 t0 -141.06 140.37 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -13.64 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -84.72 8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -52.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.52 HG11 ' CG2' ' A' ' 25' ' ' ILE . 25.6 t -145.66 156.76 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -106.2 147.51 28.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -55.64 -45.45 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -42.6 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -39.3 90.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.714 HG23 ' CD1' ' A' ' 25' ' ' ILE . 87.6 mt -58.4 -36.46 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -61.71 -42.39 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.292 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tm0? -59.7 -39.19 83.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.36 -29.67 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.466 HG21 ' HB2' ' A' ' 65' ' ' ALA . 10.8 mt -78.43 -53.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.87 -25.67 68.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -65.3 -9.96 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.7 mt -84.71 -78.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.498 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -145.25 -179.53 6.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 3.8 tt0 -106.59 132.2 52.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 5' ' ' SER . . . -145.35 128.26 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 5' ' ' SER . 13.9 mm-40 -115.25 117.97 31.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.62 HG23 ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -65.64 131.74 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.449 ' C ' HG12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -132.49 166.54 21.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -146.06 126.0 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.529 ' N ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -85.13 127.96 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 92.9 t -99.16 125.56 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -122.38 44.8 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.78 24.9 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.504 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -73.55 161.46 30.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.607 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 70.3 m -115.07 -25.45 8.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.813 ' SG ' HD21 ' A' ' 35' ' ' LEU . 3.6 t 96.57 -16.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.465 ' C ' ' H ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER -74.12 -141.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.26 22.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 12' ' ' ASN . 10.3 m -66.53 -55.14 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.762 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -42.26 -48.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.64 86.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -37.93 64.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.851 ' O ' HG23 ' A' ' 22' ' ' VAL . 49.2 mt -75.09 -60.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -44.86 -50.58 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.28 -53.32 45.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.6 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 18' ' ' ILE . 97.4 t -75.55 -49.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -12.7 28.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -77.12 -18.7 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.584 HG21 HG11 ' A' ' 49' ' ' VAL . 13.2 mt -69.14 117.26 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -65.51 92.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.4 -19.7 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.7 t -79.44 123.56 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -51.11 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.07 156.02 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 HG22 ' A' ' 42' ' ' VAL . 3.9 p -155.29 150.71 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.1 tptt -155.75 165.78 35.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.762 ' CG1' HG13 ' A' ' 15' ' ' VAL . 13.2 t -140.19 151.36 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.13 106.27 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.813 HD21 ' SG ' ' A' ' 11' ' ' CYS . 15.0 tp -65.11 162.03 17.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 57.99 15.98 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 6.8 tttt -121.13 -37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 70.7 36.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -150.71 145.92 26.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.81 145.2 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 8.5 p -109.63 147.77 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.785 HG22 HG23 ' A' ' 31' ' ' VAL . 76.4 t -145.66 149.67 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -123.51 69.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' HB3' HG22 ' A' ' 28' ' ' VAL . 48.8 p90 -99.28 -168.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 49' ' ' VAL . 24.0 t0 -142.41 139.39 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG2' ' A' ' 50' ' ' GLN . 1.5 tt0 -70.14 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.81 5.45 24.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.25 -55.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.584 HG11 HG21 ' A' ' 25' ' ' ILE . 25.0 t -146.63 162.88 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.9 mt-30 -113.92 158.62 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.855 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -56.3 -38.42 71.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.3 t -52.71 -45.56 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -65.98 -39.15 90.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 51' ' ' ALA . 7.6 mt -62.8 -37.0 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.505 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -61.74 -42.49 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.27 -47.68 78.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.66 -35.78 22.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.914 HG21 ' HB2' ' A' ' 65' ' ' ALA . 26.3 mt -70.78 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -51.3 -26.56 7.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLN . 18.2 tt0 -65.3 -10.08 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.0 mt -88.55 -78.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.25 39.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.1 -172.66 3.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.26 141.22 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.914 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.53 137.71 25.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -148.62 128.19 13.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.643 HG22 ' CD2' ' A' ' 4' ' ' PHE . 71.6 t -67.2 155.01 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.578 ' N ' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 11.8 pt-20 -106.35 160.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 1.3 m-85 -138.07 131.65 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.725 ' H ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -78.23 132.82 37.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.517 HG11 ' CE ' ' A' ' 9' ' ' MET . 23.3 t -86.35 143.78 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 64' ' ' GLN . 11.3 mttt -155.77 155.04 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.34 7.22 24.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.517 ' CE ' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -71.57 157.02 38.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 3.4 m -114.01 -29.53 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.653 ' SG ' HD22 ' A' ' 35' ' ' LEU . 5.7 t 88.56 -5.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.12 72.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 68.13 8.65 6.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' VAL . 18.3 m -66.77 -58.44 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.654 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.6 -51.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -55.52 15.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -45.12 -43.72 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.487 HG23 HG12 ' A' ' 58' ' ' ILE . 41.1 mt -66.44 -64.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.726 ' HG2' HG22 ' A' ' 31' ' ' VAL . 2.5 tt0 -49.03 -32.98 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -60.55 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.14 87.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.56 -32.66 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -79.37 -18.89 72.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.85 -5.94 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 110.228 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.96 113.91 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -64.85 95.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.85 -13.57 2.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.1 132.64 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.249 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -46.29 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -141.17 156.16 45.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.726 HG22 ' HG2' ' A' ' 19' ' ' GLU . 2.5 p -145.46 144.75 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.557 ' O ' HG23 ' A' ' 33' ' ' VAL . 9.7 tptt -152.65 163.97 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.654 ' CG1' HG13 ' A' ' 15' ' ' VAL . 13.3 t -155.77 124.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 35.9 mm-40 -112.81 119.96 39.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.653 HD22 ' SG ' ' A' ' 11' ' ' CYS . 32.8 tp -67.46 -47.1 71.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 42.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 12.9 tttt -145.62 -37.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 70.98 31.07 2.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.01 143.31 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.05 140.6 38.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' LYS . 1.5 t -109.53 123.35 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.868 HG12 ' CD1' ' A' ' 44' ' ' PHE . 74.6 t -135.83 137.89 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -115.43 100.35 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.868 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -131.27 169.23 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.1 -22.49 58.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.78 14.91 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.44 -56.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.2 t -134.56 160.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 17.1 mm-40 -108.39 142.7 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -57.34 -42.12 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.17 -42.95 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -32.96 74.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.72 -38.64 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.57 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -65.18 -43.12 92.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.252 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -36.29 76.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -27.04 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.037 HG21 ' HB2' ' A' ' 65' ' ' ALA . 5.4 mt -78.32 -51.89 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -60.05 -28.58 67.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -9.85 25.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.1 mt -89.72 -77.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.23 39.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -142.34 -164.26 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -133.2 109.73 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -111.61 117.3 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -97.3 141.93 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.602 ' C ' HD13 ' A' ' 68' ' ' ILE . 88.5 t -86.38 137.35 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.725 HD11 ' H ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.12 161.01 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.666 ' CD2' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -131.86 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.838 ' HB2' HD11 ' A' ' 68' ' ' ILE . 1.7 t -95.08 130.89 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 64' ' ' GLN . 92.1 t -106.1 126.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -122.36 51.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.28 26.63 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.459 ' HE3' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -71.0 148.09 47.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 2.3 m -122.1 -39.43 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.7 t 93.08 170.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m-20 80.48 66.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 74.91 5.95 4.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 m -66.15 -54.82 20.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -46.2 -49.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.0 -47.66 76.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -43.69 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -74.27 -63.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.98 -35.36 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -62.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.29 89.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.452 HG13 HG23 ' A' ' 54' ' ' ILE . 97.9 t -61.0 -32.54 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.61 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -80.91 -20.88 64.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 24' ' ' ARG . 21.3 ttp180 -84.03 -5.56 59.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.787 ' CG2' HG21 ' A' ' 49' ' ' VAL . 35.6 mm -64.56 118.29 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -64.47 101.04 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.49 -16.41 3.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 54' ' ' ILE . 96.1 t -85.75 124.44 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -84.87 -49.43 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -134.26 151.52 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.61 HG11 ' CA ' ' A' ' 23' ' ' GLY . 2.6 p -147.43 149.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 33' ' ' VAL . 6.7 tttp -155.54 165.57 36.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG22 ' CB ' ' A' ' 40' ' ' ALA . 56.9 t -155.67 144.52 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 16.5 mp0 -127.54 118.46 24.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.545 HD11 ' SG ' ' A' ' 11' ' ' CYS . 7.9 tt -67.11 -49.52 64.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.63 43.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.4 tttm -146.95 -37.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 4.1 mt-10 71.17 33.43 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -154.08 152.79 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.499 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -124.36 146.56 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.0 t -116.77 148.92 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 54' ' ' ILE . 75.7 t -145.19 143.65 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -118.92 75.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.622 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 27.5 p90 -117.58 -165.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.479 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 26.9 t0 -142.39 139.49 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -6.88 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.6 -15.05 50.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -120.47 -54.71 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' CG2' ' A' ' 25' ' ' ILE . 8.1 p -136.39 151.92 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -104.38 144.35 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.51 -44.63 80.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -39.1 52.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -42.6 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.652 ' CD1' HG11 ' A' ' 42' ' ' VAL . 34.9 mt -60.17 -39.77 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -42.55 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 5.2 tp60 -62.2 -44.45 96.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.42 -41.93 69.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.772 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 32.7 mt -62.4 -54.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -63.6 -24.33 67.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLN . 27.4 tt0 -65.11 -10.36 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.7 mt -88.38 -76.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.98 37.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.33 -172.68 3.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.482 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.67 143.49 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.772 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.93 141.29 27.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' SER . 3.4 mt-10 -155.38 132.28 10.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.666 HG22 ' CD2' ' A' ' 4' ' ' PHE . 91.3 t -63.97 127.3 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.838 HD11 ' HB2' ' A' ' 5' ' ' SER . 98.4 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.1 pm0 -96.77 172.85 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.14 130.13 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.814 ' N ' HD11 ' A' ' 68' ' ' ILE . 2.1 t -84.24 134.85 34.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 21.8 t -110.15 122.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -121.42 45.97 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 25.13 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.672 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.02 140.54 43.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 6.2 m -113.66 -22.97 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 88.99 -146.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER 71.04 -68.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -157.93 24.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.8 m -67.02 -56.87 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.867 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -40.1 -49.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.33 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.381 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -55.37 -46.82 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 53.4 mt -65.59 -53.17 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' OE2' HG13 ' A' ' 31' ' ' VAL . 7.4 tm-20 -55.97 -51.14 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -39.91 92.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -61.48 -49.93 74.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.816 ' HB ' HG21 ' A' ' 31' ' ' VAL . 61.8 t -68.77 -31.61 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.57 -7.41 61.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -13.75 28.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.8 mm -67.4 117.57 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -65.15 102.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -20.6 3.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.5 t -76.27 132.58 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -45.16 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -144.89 141.84 29.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.816 HG21 ' HB ' ' A' ' 22' ' ' VAL . 1.8 p -147.06 142.62 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -155.53 163.6 39.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.867 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.4 p -142.45 153.59 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.1 mm-40 -126.83 124.12 38.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.672 HD13 ' CE ' ' A' ' 9' ' ' MET . 40.1 tp -66.91 -49.14 66.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.37 43.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.1 tttt -147.06 -38.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.4 mt-10 70.96 30.5 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -154.48 158.22 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -124.44 148.15 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -115.77 144.66 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.708 HG22 HG23 ' A' ' 31' ' ' VAL . 94.7 t -145.14 156.46 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -133.52 73.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD1' HG13 ' A' ' 49' ' ' VAL . 23.9 p90 -104.19 -179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -96.48 123.21 40.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 2.5 tt0 -79.09 -5.3 53.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.55 -1.89 57.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.9 -69.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 44' ' ' PHE . 10.3 p -95.41 152.84 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.45 155.69 38.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' ' CE2' ' A' ' 4' ' ' PHE . . . -57.65 -35.69 70.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -39.04 62.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -42.22 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.485 HD12 ' CE2' ' A' ' 44' ' ' PHE . 96.6 mt -61.54 -38.69 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.512 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.24 -44.68 95.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.02 71.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.8 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 8.6 mt -66.43 -51.55 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -65.42 -23.5 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -65.1 -10.32 29.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.526 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 13.7 mt -88.89 -76.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.57 39.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.02 -171.04 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.15 140.13 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.8 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.77 124.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -127.89 147.52 50.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.504 ' C ' HD13 ' A' ' 68' ' ' ILE . 70.1 t -85.92 148.96 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.814 HD11 ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.504 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 12.5 pt-20 -105.61 167.75 9.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.781 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 0.6 OUTLIER -139.19 128.54 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -84.41 126.72 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 15.3 t -101.7 133.19 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -136.04 44.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.31 23.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.553 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -75.34 140.82 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 36.3 m -113.59 -19.88 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.9 t 89.4 -142.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 66.1 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' CYS . 1.2 t60 -149.2 20.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' VAL . 46.7 m -66.05 -60.51 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.263 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.553 HG23 ' SD ' ' A' ' 9' ' ' MET . 2.9 t -39.76 -49.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.38 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -45.41 -42.84 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 22' ' ' VAL . 62.2 mt -70.94 -59.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -48.68 -48.61 39.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -51.06 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -33.63 69.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.563 ' CG1' HG21 ' A' ' 31' ' ' VAL . 41.7 t -74.96 -40.59 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.43 -10.6 70.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -13.95 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.3 120.95 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -64.63 103.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -8.58 4.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.859 HG22 ' HB3' ' A' ' 44' ' ' PHE . 22.1 t -94.42 125.77 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -49.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 155.28 50.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.2 p -153.99 151.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -155.67 168.02 28.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HB ' HG13 ' A' ' 15' ' ' VAL . 58.9 t -151.39 134.21 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.419 ' NE2' ' HE3' ' A' ' 32' ' ' LYS . 7.2 mm-40 -107.52 102.36 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 60.0 tp -60.04 158.29 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt 59.39 14.73 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -118.02 -33.89 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 6' ' ' VAL . 23.5 mt-10 68.59 35.6 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -148.31 145.48 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.33 149.26 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.01 132.22 68.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 54' ' ' ILE . 10.7 p -124.4 152.8 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.34 63.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.859 ' HB3' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -108.66 -171.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.457 ' O ' HG12 ' A' ' 49' ' ' VAL . 61.8 t0 -98.8 125.13 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 2.0 tp10 -77.34 -26.15 51.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 17.32 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.03 -44.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.683 HG13 ' CD2' ' A' ' 44' ' ' PHE . 11.7 p -133.3 154.88 40.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.47 141.65 36.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -57.64 -43.24 84.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.404 ' HA ' HG21 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -50.42 -36.13 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.27 86.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.708 ' CD1' HG21 ' A' ' 42' ' ' VAL . 20.6 mt -60.59 -38.32 77.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.862 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.11 -40.53 81.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.444 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -63.88 -55.12 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.87 -20.8 54.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.63 ' CD1' HG22 ' A' ' 54' ' ' ILE . 18.9 mt -76.04 -62.02 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.486 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.6 p30 -65.87 -29.19 69.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 64.7 tt0 -48.71 -21.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.5 mt -74.85 -71.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.37 38.28 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.41 179.04 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.66 139.82 39.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.577 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.91 123.82 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.4 mt-10 -115.82 119.21 35.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.862 HG23 ' SG ' ' A' ' 55' ' ' CYS . 2.2 t -66.13 135.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.404 ' NE2' ' C ' ' A' ' 68' ' ' ILE . 3.9 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 68' ' ' ILE . 14.6 pt-20 -106.2 168.71 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -145.32 132.85 20.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -85.33 130.33 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 43.4 t -103.93 124.65 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -125.59 44.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.13 22.67 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.887 ' CE ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -76.05 156.73 33.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 13.0 m -117.58 -36.33 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.876 ' SG ' HD11 ' A' ' 35' ' ' LEU . 6.4 t 84.36 75.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.16 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.86 5.57 4.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.3 m -66.84 -57.47 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.909 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.5 -49.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.13 -61.42 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.53 -42.69 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . 64.5 mt -70.54 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.8 -47.11 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -49.35 70.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.47 -44.03 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ILE . 48.5 t -69.94 -48.24 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' HG11 ' A' ' 31' ' ' VAL . . . -63.62 -10.53 37.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.0 tpt85 -88.33 -13.01 41.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.553 ' HB ' HG21 ' A' ' 28' ' ' VAL . 36.3 mm -64.28 123.32 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -65.23 113.35 3.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.18 -10.33 10.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.553 HG21 ' HB ' ' A' ' 25' ' ' ILE . 58.0 t -87.1 129.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -37.0 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -166.16 167.37 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.866 HG23 HG22 ' A' ' 42' ' ' VAL . 2.6 p -157.26 159.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' N ' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -155.46 164.17 39.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.909 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -135.34 152.31 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -111.16 97.27 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.979 HD13 ' N ' ' A' ' 36' ' ' LYS . 2.7 tm? -65.72 159.17 25.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.979 ' N ' HD13 ' A' ' 35' ' ' LEU . 12.3 tttp 49.93 22.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.2 mt-10 74.29 53.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -147.34 161.56 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.2 136.58 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -127.75 141.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.866 HG22 HG23 ' A' ' 31' ' ' VAL . 95.9 t -132.84 158.72 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.95 86.14 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.545 ' CD2' ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -127.29 177.22 6.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.97 128.17 42.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.4 -22.99 62.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.65 16.95 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.31 -47.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.6 p -134.13 167.96 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.457 ' N ' HG22 ' A' ' 49' ' ' VAL . 3.5 mt-30 -124.77 145.75 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HB1' ' CE2' ' A' ' 4' ' ' PHE . . . -56.39 -41.98 77.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.59 -29.73 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -44.33 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.572 HG23 HG13 ' A' ' 22' ' ' VAL . 3.3 mp -61.31 -39.31 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.644 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -56.37 -42.6 78.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.06 -44.19 97.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -33.63 71.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.786 HG21 ' HB2' ' A' ' 65' ' ' ALA . 17.3 mt -71.91 -60.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.1 -29.6 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.33 -10.37 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.89 -79.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 168.23 38.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -145.37 -173.57 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.79 136.98 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.786 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -139.1 118.21 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.4 mt-10 -110.33 126.84 54.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.587 HG23 ' SG ' ' A' ' 55' ' ' CYS . 87.2 t -75.01 137.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.4 ' OE1' ' CG1' ' A' ' 67' ' ' VAL . 2.5 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.917 ' CD ' HD12 ' A' ' 68' ' ' ILE . 6.2 pt-20 -106.28 166.0 10.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.752 ' HD2' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -145.89 124.28 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -87.87 130.02 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 64' ' ' GLN . 5.7 t -107.77 133.31 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -128.57 44.86 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.77 23.9 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.2 151.17 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 p -121.19 -39.22 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.945 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.53 ' SG ' HD21 ' A' ' 35' ' ' LEU . 3.9 t 89.39 160.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.299 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.59 76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.3 t-80 89.8 -19.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' VAL . 9.1 m -65.26 -60.9 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.974 HG13 HG11 ' A' ' 33' ' ' VAL . 2.7 t -38.69 -50.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.26 -54.54 23.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -44.66 -39.68 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.4 -64.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.67 -47.85 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.23 -51.21 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.07 -38.9 71.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.454 HG11 ' CG2' ' A' ' 42' ' ' VAL . 16.9 t -74.73 -41.36 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.99 60.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 5.0 ttm-85 -90.75 -13.23 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 49' ' ' VAL . 32.8 mm -66.04 118.5 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 29.3 t -65.37 95.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.98 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.74 -16.12 1.79 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.619 HG13 HG13 ' A' ' 42' ' ' VAL . 42.6 t -85.57 128.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -48.03 9.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -136.68 156.35 48.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG21 ' HB ' ' A' ' 22' ' ' VAL . 2.5 p -144.92 149.91 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.68 164.49 38.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.974 HG11 HG13 ' A' ' 15' ' ' VAL . 5.4 p -133.64 151.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.646 HE22 HG23 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -124.5 90.27 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.53 HD21 ' SG ' ' A' ' 11' ' ' CYS . 12.8 tp -65.61 170.29 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 pttp 42.19 28.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 1.7 tttt -144.11 -38.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.1 mt-10 74.02 54.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -146.78 147.71 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -124.72 142.62 51.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG23 HE22 ' A' ' 34' ' ' GLN . 23.1 t -118.89 141.82 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.619 HG13 HG13 ' A' ' 28' ' ' VAL . 77.2 t -145.79 152.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -127.33 67.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.667 ' CZ ' ' HB2' ' A' ' 51' ' ' ALA . 24.3 p90 -109.69 -164.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.477 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 4.3 t70 -143.34 143.45 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -70.75 -6.79 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.33 -17.96 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.499 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -111.48 -55.77 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' CG2' ' A' ' 25' ' ' ILE . 25.2 t -143.72 159.67 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.1 mt-30 -101.96 145.03 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -55.88 -45.08 78.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -37.21 57.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -43.79 92.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.52 HD11 ' CG2' ' A' ' 28' ' ' VAL . 96.4 mt -61.11 -37.46 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -63.3 -40.28 96.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.457 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -60.09 -57.65 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.51 52.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 7.5 mt -74.19 -60.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.477 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.5 p30 -66.27 -30.3 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 9.3 tt0 -50.04 -20.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.2 mt -73.93 -70.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.18 37.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.67 179.29 7.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.737 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -105.72 141.9 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.495 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -147.5 150.15 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.0 pt-20 -153.55 126.05 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.752 HG22 ' HD2' ' A' ' 4' ' ' PHE . 89.7 t -68.94 148.38 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.917 HD12 ' CD ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.5 pt-20 -132.51 166.42 22.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.657 ' HE2' ' HB1' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -146.27 133.69 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 65' ' ' ALA . 2.2 t -87.53 131.68 34.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 42.9 t -107.75 131.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -134.11 48.99 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 27.4 0.18 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.62 149.78 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -121.41 -40.24 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.6 t 89.19 173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER 74.08 69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.2 t60 89.81 -12.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.568 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -65.7 -57.25 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.535 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -42.69 -48.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.51 -57.35 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -44.23 -45.13 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.21 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.68 -49.73 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -65.1 -48.22 74.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.78 -46.23 81.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.48 HG11 ' CG2' ' A' ' 42' ' ' VAL . 53.4 t -70.35 -32.17 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.575 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -76.64 -23.08 70.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -76.56 -5.52 48.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.839 HG21 HG12 ' A' ' 54' ' ' ILE . 37.5 mm -68.27 119.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -64.87 103.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.92 -5.0 5.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.4 t -94.0 142.74 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.31 -39.74 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -140.21 148.25 41.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG11 ' CA ' ' A' ' 23' ' ' GLY . 1.6 p -154.83 145.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 30.3 tttt -155.39 164.92 38.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' HG13 ' A' ' 15' ' ' VAL . 5.0 p -134.37 156.92 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 30.5 mm-40 -130.35 103.41 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.8 161.26 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp 54.03 18.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HD2' ' CB ' ' A' ' 34' ' ' GLN . 7.9 tttt -122.33 -36.24 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 72.2 mt-10 69.44 42.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.4 146.85 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.5 143.1 51.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 11.0 p -107.56 143.47 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' CD2' ' A' ' 44' ' ' PHE . 73.4 t -145.71 146.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.54 96.78 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.649 ' CE2' HD12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -129.9 -179.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -95.38 131.67 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.59 -23.41 60.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.5 17.01 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -46.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.504 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.4 p -133.7 166.39 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' N ' HG22 ' A' ' 49' ' ' VAL . 2.0 mm-40 -104.37 -101.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.657 ' HB1' ' HE2' ' A' ' 4' ' ' PHE . . . -174.92 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.757 ' HA ' HG21 ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.37 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -43.23 87.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.839 HG12 HG21 ' A' ' 25' ' ' ILE . 34.7 mt -59.44 -40.35 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.498 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 0.1 OUTLIER -56.26 -41.38 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -32.19 57.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -65.4 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.802 HG21 ' HB2' ' A' ' 65' ' ' ALA . 1.9 mp -64.8 -58.6 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 61' ' ' LEU . 12.4 m-20 -54.15 -25.87 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.66 31.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.571 ' H ' ' C ' ' A' ' 59' ' ' ASN . 3.8 mt -141.38 -75.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.02 39.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.1 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.13 143.55 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.802 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.93 131.13 18.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -124.87 121.81 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.757 HG21 ' HA ' ' A' ' 52' ' ' THR . 98.1 t -67.29 140.25 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.5 pt-20 -106.06 149.55 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.538 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -134.64 131.45 37.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.517 ' CB ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -82.95 125.95 31.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 6' ' ' VAL . 5.1 p -103.17 118.48 50.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.506 ' CB ' ' HB2' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -123.73 -172.87 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.05 16.53 6.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.476 ' SD ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.3 146.11 41.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 14.1 m -88.72 -39.91 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.9 ' SG ' HD21 ' A' ' 35' ' ' LEU . 4.4 t 96.34 61.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.03 -81.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.633 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 16.3 t60 -124.91 15.46 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 9' ' ' MET . 8.6 m -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.905 HG21 ' HB2' ' A' ' 35' ' ' LEU . 2.8 t -37.48 -51.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' ND1' ' A' ' 13' ' ' HIS . . . -65.88 -45.17 83.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -54.71 -47.71 73.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 1.003 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.3 mm -63.89 -56.07 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.81 ' HG2' HG22 ' A' ' 31' ' ' VAL . 1.1 tm-20 -53.14 -50.94 63.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.85 -46.11 79.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -54.14 -30.73 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.003 HG23 ' O ' ' A' ' 18' ' ' ILE . 65.0 t -73.21 -38.72 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.63 -9.43 38.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -87.01 -23.88 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 22' ' ' VAL . 10.2 mt -68.24 114.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -64.59 99.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.31 -12.48 3.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.485 HG11 HG12 ' A' ' 22' ' ' VAL . 2.2 t -82.83 132.04 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.45 -48.94 3.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -126.2 151.43 47.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.982 HG21 ' HB ' ' A' ' 22' ' ' VAL . 3.5 p -155.79 144.42 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -155.45 161.75 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.474 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 85.5 t -150.98 148.71 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' HG3' ' NZ ' ' A' ' 32' ' ' LYS . 6.3 mt-30 -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.905 ' HB2' HG21 ' A' ' 15' ' ' VAL . 13.0 tp -65.66 164.97 13.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 54.63 18.59 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -41.83 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' SER . 20.0 mt-10 76.4 30.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -140.69 138.7 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB1' HG22 ' A' ' 33' ' ' VAL . . . -127.9 149.18 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -122.64 135.75 61.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 HG23 ' A' ' 31' ' ' VAL . 65.6 t -134.9 153.02 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -131.85 98.43 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 54' ' ' ILE . 3.2 p90 -133.88 -179.59 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -96.05 132.18 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.41 -23.24 57.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.44 13.38 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 -52.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.441 HG11 HG21 ' A' ' 25' ' ' ILE . 41.2 t -134.42 155.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -114.08 147.22 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.506 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -55.69 -41.49 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.7 t -54.01 -45.55 71.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.99 -38.32 88.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.633 HD12 ' CZ ' ' A' ' 44' ' ' PHE . 97.0 mt -62.38 -38.37 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -64.84 -42.87 94.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.95 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.844 HD12 HG23 ' A' ' 18' ' ' ILE . 16.0 mm -79.62 -45.51 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -65.01 -31.42 72.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -10.46 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.7 mt -80.49 -75.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 164.97 42.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.611 ' CE2' HD11 ' A' ' 18' ' ' ILE . 1.4 m-85 -145.05 -177.01 5.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.506 ' HB2' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -105.31 97.23 7.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.686 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -102.46 120.46 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.1 mm-40 -114.14 139.59 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.432 HG22 ' SG ' ' A' ' 55' ' ' CYS . 88.0 t -85.69 129.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.517 HD11 ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mm100 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 15.6 pt-20 -86.37 146.32 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.674 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -127.74 129.31 46.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.603 ' H ' HD13 ' A' ' 68' ' ' ILE . 1.9 t -85.33 131.06 34.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 20.4 t -107.42 135.8 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -134.07 45.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.16 24.64 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 152.11 38.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.8 m -118.83 -36.36 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.723 ' SG ' HD21 ' A' ' 35' ' ' LEU . 5.4 t 88.14 52.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.479 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.6 m-20 -145.37 56.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.496 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 85.1 7.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m -65.92 -59.98 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.8 t -40.37 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.45 65.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.745 HG23 HG12 ' A' ' 58' ' ' ILE . 55.8 mt -73.43 -63.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HG2' HG13 ' A' ' 31' ' ' VAL . 2.4 tm-20 -48.98 -39.08 25.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -53.75 38.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -51.71 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 54' ' ' ILE . 40.9 t -54.65 -35.6 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.36 -14.59 82.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -87.9 -12.92 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.82 121.05 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -65.59 99.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.12 -12.36 3.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.799 HG22 ' HB3' ' A' ' 44' ' ' PHE . 30.7 t -91.7 134.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 4.7 tttt -99.22 -47.81 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 5.0 mmmt -131.34 156.56 45.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.431 HG13 ' HG2' ' A' ' 19' ' ' GLU . 5.1 p -155.29 151.22 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' C ' HG23 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -155.72 166.82 32.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.543 HG22 ' CB ' ' A' ' 40' ' ' ALA . 76.8 t -153.33 141.72 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 6.8 mm-40 -119.78 120.33 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.723 HD21 ' SG ' ' A' ' 11' ' ' CYS . 15.0 tp -67.12 -46.53 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -85.06 42.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -145.96 -39.04 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.8 mt-10 70.64 29.98 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -153.26 137.54 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.543 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -105.44 152.35 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.43 147.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG11 ' HZ ' ' A' ' 4' ' ' PHE . 11.6 p -133.77 152.65 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -129.32 65.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.799 ' HB3' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -115.2 -176.87 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -21.05 54.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.18 8.67 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.46 -46.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 50' ' ' GLN . 60.6 t -135.57 166.69 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.515 ' N ' HG12 ' A' ' 49' ' ' VAL . 4.2 mm100 -117.61 141.74 48.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.674 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -57.9 -41.69 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.64 -39.04 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.99 92.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.643 HG23 HG22 ' A' ' 22' ' ' VAL . 73.4 mt -62.58 -38.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.525 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -60.85 -42.14 97.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 108.323 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -58.29 -40.04 80.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.64 -34.81 74.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.745 HG12 HG23 ' A' ' 18' ' ' ILE . 5.8 mt -72.04 -49.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -65.05 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -14.84 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.8 mt -78.64 -72.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.12 39.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.93 -173.94 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.7 tp60 -105.82 129.95 53.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -146.05 127.53 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -126.2 150.85 48.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.971 ' C ' HD12 ' A' ' 68' ' ' ILE . 87.9 t -84.92 122.58 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.971 HD12 ' C ' ' A' ' 67' ' ' VAL . 1.8 mp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.48 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 pt-20 -93.79 152.0 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 1.3 m-85 -137.24 128.5 27.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 2.5 t -82.52 130.62 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 11.1 t -110.82 123.07 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -122.65 48.34 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.85 24.4 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.95 151.14 37.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.4 -0.35 6.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.972 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.482 ' SG ' HD21 ' A' ' 35' ' ' LEU . 0.9 OUTLIER 57.68 -152.31 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.49 ' N ' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER 67.54 -71.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -142.09 9.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.6 m -68.46 -59.24 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.0 t -36.98 -50.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.0 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -45.51 -40.88 9.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.857 HG23 HD12 ' A' ' 58' ' ' ILE . 59.8 mt -72.93 -61.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HG2' HG13 ' A' ' 31' ' ' VAL . 2.0 tm-20 -47.55 -50.41 23.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.29 -49.0 73.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -55.51 -39.53 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.845 ' CG2' HD11 ' A' ' 58' ' ' ILE . 78.8 t -73.29 -31.56 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.926 ' HA2' HG11 ' A' ' 28' ' ' VAL . . . -81.49 6.61 64.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.31 -16.67 23.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.03 HD13 HG12 ' A' ' 54' ' ' ILE . 12.9 mt -64.27 124.12 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -65.49 94.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.44 -15.74 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.926 HG11 ' HA2' ' A' ' 23' ' ' GLY . 1.2 p -77.54 142.49 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HG2' ' CG ' ' A' ' 30' ' ' LYS . 24.4 tttp -111.85 -46.76 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 29' ' ' LYS . 1.7 mttp -135.3 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 19' ' ' GLU . 2.5 p -156.39 146.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -154.73 165.29 37.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -139.76 144.41 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.79 97.06 6.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.482 HD21 ' SG ' ' A' ' 11' ' ' CYS . 29.8 tp -61.01 163.72 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.79 19.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -128.07 -45.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 39' ' ' LYS . 13.5 mt-10 81.64 43.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.257 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.04 153.57 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.59 140.04 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -112.24 152.06 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.51 ' CG1' ' CD2' ' A' ' 44' ' ' PHE . 95.1 t -146.8 157.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -134.89 76.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -111.99 -179.63 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 49' ' ' VAL . 49.0 t0 -93.6 123.37 36.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -78.03 -4.71 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.465 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -79.0 -25.88 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -115.03 -67.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.614 HG11 ' HB2' ' A' ' 44' ' ' PHE . 8.4 p -84.75 164.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -112.23 -101.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.14 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.853 ' HA ' HG21 ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.27 -36.59 83.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -34.74 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.03 HG12 HD13 ' A' ' 25' ' ' ILE . 93.9 mt -66.11 -36.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.507 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -61.37 -41.43 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -36.33 63.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.66 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.857 HD12 HG23 ' A' ' 18' ' ' ILE . 17.4 mm -68.9 -53.16 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -62.71 -26.41 68.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.26 -11.78 34.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.8 mt -86.18 -77.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.81 37.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.16 -173.59 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.41 142.87 34.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.659 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.78 126.29 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.9 mt-10 -124.84 117.77 24.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.853 HG21 ' HA ' ' A' ' 52' ' ' THR . 10.9 t -67.67 131.79 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.442 HD11 ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 15.4 pt-20 -88.45 164.49 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -129.01 126.98 40.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.707 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.8 t -79.81 128.05 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 2.8 t -98.4 125.93 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -125.18 44.54 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.95 25.66 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.67 ' CE ' HD13 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -73.9 143.15 45.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.19 -18.88 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.8 OUTLIER 87.8 -154.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.344 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.7 m120 80.43 -67.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.414 ' NE2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -162.76 27.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.9 m -67.05 -56.98 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.442 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.9 t -39.49 -49.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.14 -59.18 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -46.17 -43.98 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 22' ' ' VAL . 72.9 mt -64.71 -59.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.36 -49.02 65.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.33 -45.28 84.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -55.61 -38.24 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' ILE . 82.7 t -73.47 -51.28 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.4 -22.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -15.17 60.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.793 HG21 HG11 ' A' ' 49' ' ' VAL . 28.7 mm -70.69 111.68 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -60.39 100.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.77 -13.22 2.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.11 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 44' ' ' PHE . 5.7 t -90.13 128.57 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -91.22 -49.04 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.56 153.18 51.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.81 HG23 HG22 ' A' ' 42' ' ' VAL . 2.3 p -156.42 148.39 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -148.67 164.33 34.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.52 HG22 ' HB1' ' A' ' 40' ' ' ALA . 43.0 t -149.54 140.72 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 21.5 mp0 -123.3 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD13 ' CE ' ' A' ' 9' ' ' MET . 20.5 tp -67.13 -48.35 68.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -83.56 42.2 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 7.6 tttt -146.52 -37.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 71.25 35.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.04 151.17 28.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB1' HG22 ' A' ' 33' ' ' VAL . . . -124.7 128.26 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 14.7 p -97.87 147.17 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.81 HG22 HG23 ' A' ' 31' ' ' VAL . 86.0 t -143.75 144.04 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -118.72 81.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.814 ' HB3' HG22 ' A' ' 28' ' ' VAL . 10.3 p90 -130.14 172.51 11.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . 17.6 t0 -99.22 138.45 36.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 1.6 tt0 -76.69 -4.06 41.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 -28.06 25.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -100.9 -53.65 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.793 HG11 HG21 ' A' ' 25' ' ' ILE . 25.9 t -133.7 144.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -106.03 150.2 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.414 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -55.3 -47.83 75.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.1 -40.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -46.52 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.27 -39.15 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.49 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -55.39 -42.82 74.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.285 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -57.53 -45.97 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -34.33 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.641 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 23.5 mt -73.3 -58.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -55.07 -30.7 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.3 -11.16 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' CB ' ' CE2' ' A' ' 63' ' ' TYR . 24.2 mt -79.46 -28.77 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.488 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 115.24 17.93 6.48 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' CB ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -124.65 -171.26 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -105.05 137.93 42.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.641 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -143.29 136.08 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -141.97 127.97 19.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 4' ' ' PHE . 85.4 t -64.97 136.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 66' ' ' GLU . 1.5 mp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.836 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.2 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.7 OUTLIER -133.65 135.85 44.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.902 ' CZ ' HG11 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -116.33 132.34 56.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.765 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.9 t -85.51 126.64 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.033 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 38' ' ' GLU . 5.1 p -99.28 131.63 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -138.37 50.63 1.88 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 25.79 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.84 145.4 40.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 83.4 p -106.41 -41.84 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 96.5 58.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.46 -80.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -130.26 12.17 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' ' 63' ' ' TYR . 36.1 m -65.92 -57.68 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.992 HG13 ' CG1' ' A' ' 33' ' ' VAL . 3.3 t -39.68 -49.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.58 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -49.48 7.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.34 -55.54 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 1.6 tm-20 -53.28 -50.39 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 19' ' ' GLU . 1.3 tt0 -65.24 -45.23 85.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.05 -36.19 38.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.995 HG12 HG11 ' A' ' 28' ' ' VAL . 29.1 t -72.28 -64.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.69 -20.44 2.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -31.83 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 22' ' ' VAL . 5.7 mt -64.11 121.38 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' VAL . 21.1 t -63.64 96.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.02 -21.68 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.995 HG11 HG12 ' A' ' 22' ' ' VAL . 51.7 t -87.26 120.78 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.39 -51.85 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -137.9 153.26 49.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.695 HG21 HG11 ' A' ' 22' ' ' VAL . 3.0 p -156.51 155.41 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 3.3 ttpp -154.86 164.25 39.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.992 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -134.8 145.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.14 106.32 10.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.505 HD13 ' SD ' ' A' ' 9' ' ' MET . 36.6 tp -62.51 160.09 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 1.3 tttp 57.96 16.42 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -119.45 -34.92 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HA ' HG12 ' A' ' 6' ' ' VAL . 58.1 mt-10 67.77 33.78 4.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -151.23 144.25 24.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.83 137.05 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.6 p -95.14 134.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.902 HG11 ' CZ ' ' A' ' 4' ' ' PHE . 11.1 p -124.31 148.51 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' LYS . 53.1 tttt -129.04 73.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.742 ' HB3' HG22 ' A' ' 28' ' ' VAL . 19.6 p90 -121.88 -163.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -143.36 144.94 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -5.91 46.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -18.71 42.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.62 -53.29 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG11 ' CG2' ' A' ' 25' ' ' ILE . 24.8 t -147.05 155.54 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -97.9 146.22 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.755 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -56.29 -45.93 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.4 t -47.64 -46.22 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -66.59 -35.42 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 51' ' ' ALA . 65.1 mt -62.86 -37.9 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.512 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -56.33 -41.71 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.97 74.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.769 ' CB ' HD11 ' A' ' 25' ' ' ILE . . . -53.69 -33.83 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.736 HG21 ' HB2' ' A' ' 65' ' ' ALA . 3.4 mt -73.78 -57.19 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -55.92 -29.11 59.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.88 -11.0 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.8 mt -84.52 -76.03 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.55 40.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -145.11 -171.46 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 110.976 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -105.95 129.86 54.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -137.92 135.74 36.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.65 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -140.48 131.35 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.468 ' C ' HD12 ' A' ' 68' ' ' ILE . 92.1 t -67.79 134.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 5' ' ' SER . 1.6 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.868 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.872 ' O ' HG12 ' A' ' 42' ' ' VAL . 1.5 mm100 -90.23 156.55 18.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.103 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.1 pt-20 -134.45 159.47 40.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.769 ' CZ ' HG11 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -137.48 146.53 44.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.817 ' HB2' HD11 ' A' ' 68' ' ' ILE . 1.9 t -97.6 132.19 43.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 57.4 t -104.71 128.92 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -129.01 46.7 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.78 24.12 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 ttm -75.11 153.34 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 58.6 m -118.21 -36.1 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.608 ' SG ' HD21 ' A' ' 35' ' ' LEU . 6.0 t 87.61 53.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.276 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.63 69.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 t60 77.6 0.3 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.641 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' VAL . 22.8 m -65.99 -59.02 4.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.488 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.8 t -40.6 -49.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.28 -56.73 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.7 -48.16 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.98 ' O ' HG23 ' A' ' 22' ' ' VAL . 50.7 mt -63.54 -57.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -49.35 -53.62 21.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.75 -45.37 86.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.33 -35.83 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 18' ' ' ILE . 48.2 t -73.09 -54.01 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' N ' HG11 ' A' ' 31' ' ' VAL . . . -52.84 -18.93 6.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -18.83 60.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.609 ' CD1' HG23 ' A' ' 54' ' ' ILE . 13.6 mt -64.33 113.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 31.2 t -59.41 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.05 -18.64 1.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.874 HG22 ' HB3' ' A' ' 44' ' ' PHE . 6.4 t -87.93 130.76 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -84.59 -48.18 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.07 141.2 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 41' ' ' VAL . 1.7 p -136.76 151.59 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -140.09 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.488 ' HB ' HG13 ' A' ' 15' ' ' VAL . 56.8 t -142.22 139.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -118.42 107.3 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD21 ' SG ' ' A' ' 11' ' ' CYS . 63.8 tp -65.27 161.78 18.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' H ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER 58.1 15.82 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 11.5 tttt -120.81 -35.86 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 13.5 mt-10 69.02 41.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.57 145.0 21.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.71 134.86 52.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 p -98.3 133.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 2' ' ' GLN . 11.8 p -122.29 145.8 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -126.25 74.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.874 ' HB3' HG22 ' A' ' 28' ' ' VAL . 29.6 p90 -120.59 -163.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.465 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 5.2 t0 -143.16 144.75 32.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.16 -12.35 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.0 6.58 21.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.28 -51.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 25' ' ' ILE . 28.8 t -150.42 159.21 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 2.2 mp0 -103.48 145.5 29.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.736 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -55.99 -44.85 79.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -46.49 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -36.69 84.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 51' ' ' ALA . 52.1 mt -62.08 -36.92 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.754 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -59.97 -42.56 94.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tp60 -58.67 -45.5 89.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HB3' HD11 ' A' ' 25' ' ' ILE . . . -54.67 -29.26 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.7 mt -78.31 -48.52 22.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -65.19 -28.03 69.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' GLN . 0.2 OUTLIER -65.51 -9.6 27.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.9 mt -81.17 -77.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.66 39.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.13 -174.16 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.9 tt0 -105.28 111.85 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -120.2 141.89 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -151.51 132.86 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.453 ' CG1' ' NE2' ' A' ' 2' ' ' GLN . 90.7 t -63.99 123.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 5' ' ' SER . 97.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.552 ' HG2' HG13 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -145.61 133.48 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.49 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 3.8 pt-20 -94.88 161.05 14.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -136.06 151.08 49.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.508 ' CA ' HD11 ' A' ' 68' ' ' ILE . 1.8 t -98.4 131.19 44.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 t -100.68 136.32 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' GLN . 3.7 mttt -135.6 162.57 32.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.42 -14.84 21.06 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.418 ' CG ' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -63.68 147.07 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.736 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 25.0 p -145.01 16.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 90.48 -134.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER 67.15 19.32 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 87.98 21.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' CG ' ' A' ' 9' ' ' MET . 9.9 m -66.66 -50.37 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -47.59 -48.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.15 -58.39 6.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -45.22 -49.0 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' VAL . 63.6 mt -62.63 -55.62 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.63 -53.92 21.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -65.29 -47.99 74.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.1 -34.11 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.671 ' CG1' HG21 ' A' ' 31' ' ' VAL . 21.1 t -75.0 -34.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -3.66 54.36 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -89.02 -15.95 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.507 HD13 HG12 ' A' ' 54' ' ' ILE . 13.8 mt -65.13 108.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -57.95 98.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.74 -14.05 2.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 44' ' ' PHE . 25.0 t -83.87 131.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -47.49 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.08 145.02 50.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.671 HG21 ' CG1' ' A' ' 22' ' ' VAL . 2.4 p -149.25 144.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 6.1 tttt -155.02 167.24 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.544 HG22 ' CB ' ' A' ' 40' ' ' ALA . 79.5 t -150.6 133.06 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 89.5 mm-40 -108.91 122.31 46.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 tp -67.28 -48.51 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.48 43.36 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -147.1 -37.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.7 mt-10 71.41 33.71 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -151.24 160.51 43.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -126.8 133.27 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 10.3 p -98.52 144.42 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.757 HG12 ' HD1' ' A' ' 44' ' ' PHE . 80.4 t -145.44 141.91 22.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -127.03 85.64 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.757 ' HD1' HG12 ' A' ' 42' ' ' VAL . 16.1 p90 -120.47 -179.95 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -96.55 132.86 41.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.77 -23.92 55.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.11 13.0 8.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.28 -53.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.7 t -134.68 160.01 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 36.4 mm-40 -113.09 147.18 37.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -55.57 -46.12 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 t -51.01 -42.31 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -40.04 93.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.59 HD13 HG11 ' A' ' 42' ' ' VAL . 70.8 mt -60.64 -36.83 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.568 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -63.19 -41.78 99.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -58.9 -44.81 91.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.18 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.5 mt -79.74 -46.13 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -65.04 -30.03 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.3 tt0 -65.15 -9.75 25.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.2 mt -82.02 -76.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 167.82 39.45 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.37 166.75 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.2 tp60 -90.46 91.76 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -106.7 140.27 39.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' CA ' ' SG ' ' A' ' 55' ' ' CYS . 2.8 pt-20 -154.5 143.75 21.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 2' ' ' GLN . 88.4 t -64.2 132.88 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.508 HD11 ' CA ' ' A' ' 5' ' ' SER . 57.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.58 162.97 31.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 13.3 pt-20 -134.19 153.26 51.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.3 138.36 53.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.679 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.1 t -93.73 133.74 36.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 64' ' ' GLN . 77.6 t -109.48 141.98 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -144.19 48.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.71 27.09 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.408 ' CE ' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -75.37 157.68 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -109.65 -29.91 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 7.2 t 83.04 133.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.7 m-20 81.09 95.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.523 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER 89.4 -29.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 10' ' ' SER . 18.8 m -63.93 -58.59 6.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.33 -48.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.53 -53.9 35.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -44.65 -48.72 10.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.607 HG23 HG12 ' A' ' 58' ' ' ILE . 63.0 mt -63.73 -59.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.49 -53.74 21.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -43.41 97.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -53.92 -38.43 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.811 ' HB ' HG21 ' A' ' 31' ' ' VAL . 71.9 t -75.34 -50.72 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.13 -23.5 17.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -17.11 60.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.3 mm -68.78 114.6 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.9 t -64.93 96.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.68 -16.72 2.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.6 t -78.8 134.15 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -96.27 -46.47 6.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -135.79 156.67 48.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.811 HG21 ' HB ' ' A' ' 22' ' ' VAL . 2.9 p -155.17 143.5 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 ttmm -150.06 166.14 30.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 32' ' ' LYS . 39.2 t -155.22 133.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.7 mp0 -115.81 120.04 37.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -67.21 -47.73 70.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.1 42.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -146.79 -36.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 1.9 mt-10 72.52 19.66 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -135.74 157.59 46.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -124.64 138.28 54.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.28 138.99 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 31' ' ' VAL . 39.7 t -143.87 153.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -131.08 95.31 3.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 1.5 p90 -130.02 177.56 7.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -95.94 131.88 41.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.64 -24.4 56.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 12.08 10.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.64 -51.2 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.8 t -134.74 149.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -108.97 145.79 34.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.576 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.26 -45.23 80.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.67 -41.19 42.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -43.08 90.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.02 -38.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -43.0 99.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -38.91 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.79 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.607 HG12 HG23 ' A' ' 18' ' ' ILE . 10.1 mt -68.7 -55.07 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -60.97 -28.48 69.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.13 -12.27 26.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 21.5 mt -83.75 -76.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.72 38.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.03 177.71 8.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 0.717 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.53 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.15 133.41 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.495 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -143.06 153.76 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -155.07 134.26 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.489 ' C ' HD12 ' A' ' 68' ' ' ILE . 80.1 t -69.1 137.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.679 HD13 ' HB3' ' A' ' 5' ' ' SER . 1.5 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.49 ' OE1' HG22 ' A' ' 67' ' ' VAL . 1.9 mm-40 -150.12 160.03 43.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -134.05 153.9 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.616 ' CD2' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -127.76 129.07 46.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -85.1 129.25 34.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 45.2 t -104.42 137.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -139.58 44.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.74 25.39 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.28 146.81 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.7 OUTLIER -110.23 -37.84 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.5 t 88.64 156.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.32 78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 89.61 -16.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.578 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.9 m -65.88 -58.9 4.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.864 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -42.45 -48.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -54.98 23.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.51 -43.98 8.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.0 mt -67.3 -62.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' OE1' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.33 -49.2 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -65.3 -45.42 84.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -57.76 -44.0 85.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.694 ' CG1' HG21 ' A' ' 31' ' ' VAL . 25.1 t -74.1 -40.87 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.95 -13.16 46.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -85.93 -12.85 49.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.74 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.967 ' CG2' HG21 ' A' ' 49' ' ' VAL . 31.4 mm -67.92 122.27 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -65.38 107.43 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.63 -21.11 4.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.532 HG13 ' CG2' ' A' ' 42' ' ' VAL . 48.6 t -82.09 121.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 1.9 tttm -85.48 -54.37 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 10.1 mmtt -131.57 151.94 51.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.694 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.1 p -156.54 148.87 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.86 164.43 38.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.864 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.5 p -138.05 141.05 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 15.5 mm-40 -118.58 121.34 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.24 -46.66 76.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.27 41.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.8 tttt -146.29 -39.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.0 mt-10 70.98 29.25 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.2 138.92 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -101.06 136.85 40.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 t -103.8 129.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.573 HG11 ' HZ ' ' A' ' 4' ' ' PHE . 12.2 p -120.32 153.34 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' LYS . 7.0 tttm -126.76 67.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.651 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 29.4 p90 -113.86 -162.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' VAL . 9.9 t0 -142.92 142.58 31.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -8.34 55.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 5.17 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.27 -53.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.967 HG21 ' CG2' ' A' ' 25' ' ' ILE . 9.1 p -138.27 150.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.88 143.71 34.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.57 -42.77 34.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -37.56 86.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.463 HG23 HG22 ' A' ' 22' ' ' VAL . 33.3 mt -60.18 -38.74 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.18 -41.94 85.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.86 -42.61 99.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.44 90.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 11.5 mt -67.52 -50.4 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.42 -27.46 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 mm-40 -65.19 -9.97 27.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.9 mt -81.29 -76.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.72 39.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -144.96 -176.52 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.29 118.25 36.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -133.61 149.41 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' SER . 8.5 mm-40 -154.97 131.13 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.616 HG23 ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -68.97 123.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 67' ' ' VAL . 1.4 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.671 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 2.1 tt0 -140.34 146.4 38.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.533 ' N ' ' HG3' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -130.49 153.52 48.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.576 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -128.59 147.43 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 66' ' ' GLU . 1.8 t -100.19 128.67 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 64' ' ' GLN . 29.1 t -103.68 143.62 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 0.3 OUTLIER -143.86 42.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.87 23.19 0.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.473 ' SD ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.06 153.06 39.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 0.789 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 57.0 m -112.48 -22.81 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.7 OUTLIER 86.66 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.33 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.5 m120 78.77 -67.18 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -157.51 25.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.3 m -66.39 -56.12 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.344 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.697 HG22 HG12 ' A' ' 33' ' ' VAL . 2.7 t -41.74 -49.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.43 -49.99 67.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.65 -47.42 70.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 22' ' ' VAL . 48.6 mt -68.05 -52.17 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -52.68 -53.5 46.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -64.27 -44.74 90.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -58.51 -42.96 88.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 18' ' ' ILE . 60.5 t -67.03 -54.56 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.82 -19.92 3.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -13.75 60.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 22' ' ' VAL . 16.3 mt -68.18 117.61 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.8 t -64.8 108.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.06 -20.19 4.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.665 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.7 t -80.52 125.95 39.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -49.7 7.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -135.52 159.56 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 42' ' ' VAL . 5.0 p -155.59 152.0 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.58 167.86 29.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.697 HG12 HG22 ' A' ' 15' ' ' VAL . 78.1 t -155.23 141.62 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 17.5 mp0 -124.24 117.5 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.6 tm? -66.63 -45.17 79.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.63 41.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -145.52 -43.58 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 37' ' ' LYS . 2.0 mt-10 79.09 28.81 0.38 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -150.99 140.24 21.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.486 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -104.92 138.47 41.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 t -104.77 133.46 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.817 HG22 HG23 ' A' ' 31' ' ' VAL . 98.1 t -137.38 144.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -124.94 95.95 4.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.665 ' HB3' HG22 ' A' ' 28' ' ' VAL . 2.4 p90 -135.22 178.5 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 49' ' ' VAL . 62.4 t0 -95.72 124.87 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.22 -5.32 46.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.54 -32.53 28.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -107.33 -70.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 45' ' ' ASP . 36.6 t -88.7 154.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.78 156.44 43.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.671 ' HB2' ' OE1' ' A' ' 2' ' ' GLN . . . -56.88 -37.16 70.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.77 -45.86 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.43 89.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 22' ' ' VAL . 18.0 mt -65.57 -39.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.56 ' HG ' ' HD2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -66.46 -44.25 83.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 108.312 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.65 -50.41 73.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.93 -32.78 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.626 HG21 ' HB2' ' A' ' 65' ' ' ALA . 52.2 mt -73.49 -65.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -52.79 -26.99 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.1 tt0 -65.0 -11.53 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.5 mt -84.06 -76.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.473 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 166.22 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.71 -173.37 4.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.644 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -106.59 134.74 49.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.22 133.33 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 mt-10 -125.79 142.07 51.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 68' ' ' ILE . 98.6 t -76.14 119.58 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 67' ' ' VAL . 1.5 mp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 77.51 118.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 15.2 pt-20 -105.23 164.75 11.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.703 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -133.88 129.97 37.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.448 ' N ' HD11 ' A' ' 68' ' ' ILE . 3.3 t -79.51 128.43 33.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 64' ' ' GLN . 27.3 t -107.35 116.43 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -113.03 49.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.43 24.82 0.22 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -75.38 158.23 33.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.522 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 11.8 m -113.25 -23.18 10.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.74 ' SG ' HD21 ' A' ' 35' ' ' LEU . 18.7 t 68.47 67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.522 ' OD1' ' CB ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -166.65 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -122.21 -1.43 9.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.569 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' VAL . 17.5 m -66.77 -59.34 3.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.794 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -36.88 -50.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.24 3.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -44.91 -45.54 10.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.42 -58.77 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.42 -43.83 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.53 -47.72 74.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.77 -56.24 14.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.597 ' CG1' HG21 ' A' ' 31' ' ' VAL . 68.0 t -54.35 -33.44 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.528 ' HA2' HG11 ' A' ' 31' ' ' VAL . . . -75.51 -19.54 79.23 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -9.7 58.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.0 113.87 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -65.16 96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.51 -13.25 2.73 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' A' ' 44' ' ' PHE . 9.0 t -85.46 124.14 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -49.86 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -132.38 148.24 52.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.597 HG21 ' CG1' ' A' ' 22' ' ' VAL . 1.5 p -155.49 140.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 164.25 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.794 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -138.93 142.74 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.19 106.93 16.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.74 HD21 ' SG ' ' A' ' 11' ' ' CYS . 38.3 tp -63.01 155.75 26.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt 63.39 9.87 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -117.5 -34.91 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 5' ' ' SER . 5.5 mt-10 68.85 35.47 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -144.09 144.58 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.651 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -130.35 131.62 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.06 145.07 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.757 HG12 ' HD1' ' A' ' 44' ' ' PHE . 72.7 t -143.19 140.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -124.71 86.13 2.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.757 ' HD1' HG12 ' A' ' 42' ' ' VAL . 15.8 p90 -122.08 -179.83 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -96.61 131.27 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -75.44 -23.13 56.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 14.08 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.22 -52.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.2 t -134.61 158.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -116.06 144.12 44.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.581 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.75 -43.66 80.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.83 -40.67 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -45.43 84.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.58 HD13 HG11 ' A' ' 42' ' ' VAL . 84.9 mt -58.89 -37.59 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.651 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.1 -41.35 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 5.1 tp60 -65.51 -42.64 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -21.64 66.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.797 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 29.5 mt -76.33 -63.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.492 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 5.0 p30 -65.36 -28.55 69.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.3 mm-40 -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 10.6 mt -77.7 -74.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 178.72 35.98 0.06 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -144.22 -171.0 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 6' ' ' VAL . 1.5 tt0 -105.16 154.56 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.797 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -146.28 141.0 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.5 OUTLIER -143.18 114.96 8.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.651 HG23 ' SG ' ' A' ' 55' ' ' CYS . 70.8 t -64.9 130.87 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.89 142.59 36.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.493 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 7.6 pt-20 -105.95 157.72 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.713 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -136.39 131.62 34.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 65' ' ' ALA . 2.2 t -78.97 172.85 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 86.2 t -146.77 141.59 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -155.12 48.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.03 26.6 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.684 ' SD ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.78 144.79 41.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 28.0 m -116.69 -32.45 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 92.07 -147.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.9 m-80 66.35 33.12 7.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER 90.07 16.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.605 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m -66.63 -52.88 40.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.0 t -39.86 -49.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -43.38 46.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.6 mt -69.93 -60.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -45.51 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.52 -53.24 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.25 83.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 25' ' ' ILE . 50.3 t -55.44 -39.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA2' HG11 ' A' ' 28' ' ' VAL . . . -62.14 -11.43 32.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -81.92 -7.65 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.332 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.714 ' CD1' HG23 ' A' ' 54' ' ' ILE . 18.8 mt -65.33 114.12 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 49' ' ' VAL . 6.1 t -65.16 96.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.02 -7.01 4.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.613 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -83.56 136.4 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -45.72 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -137.32 156.48 48.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 42' ' ' VAL . 2.1 p -149.09 145.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -155.16 169.53 23.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' LYS . 3.7 t -151.91 154.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 10.8 mt-30 -136.04 104.95 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.684 HD12 ' SD ' ' A' ' 9' ' ' MET . 1.3 tt -67.68 -45.37 75.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.23 39.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 2.6 tttt -147.46 -43.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 3.4 mt-10 84.83 34.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HE2' ' CE ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -154.3 171.29 19.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -140.49 150.35 43.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.9 t -122.17 139.27 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.613 ' CG1' ' CG2' ' A' ' 28' ' ' VAL . 76.8 t -143.72 142.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -114.68 99.78 7.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 51' ' ' ALA . 45.0 p90 -129.7 -161.82 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 47' ' ' ALA . 20.1 t0 -141.06 140.37 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -13.64 61.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -84.72 8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -52.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.52 HG11 ' CG2' ' A' ' 25' ' ' ILE . 25.6 t -145.66 156.76 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -106.2 147.51 28.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -55.64 -45.45 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -42.6 62.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -39.3 90.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.714 HG23 ' CD1' ' A' ' 25' ' ' ILE . 87.6 mt -58.4 -36.46 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -61.71 -42.39 98.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.292 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.5 tm0? -59.7 -39.19 83.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.36 -29.67 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.466 HG21 ' HB2' ' A' ' 65' ' ' ALA . 10.8 mt -78.43 -53.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.87 -25.67 68.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -65.3 -9.96 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.7 mt -84.71 -78.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.17 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.498 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -145.25 -179.53 6.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 3.8 tt0 -106.59 132.2 52.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 5' ' ' SER . . . -145.35 128.26 16.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 5' ' ' SER . 13.9 mm-40 -115.25 117.97 31.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.62 HG23 ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -65.64 131.74 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -99.49 163.12 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' C ' HG12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -132.49 166.54 21.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -146.06 126.0 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.529 ' N ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -85.13 127.96 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 92.9 t -99.16 125.56 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.073 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -122.38 44.8 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.78 24.9 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.504 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -73.55 161.46 30.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.607 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 70.3 m -115.07 -25.45 8.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.813 ' SG ' HD21 ' A' ' 35' ' ' LEU . 3.6 t 96.57 -16.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.465 ' C ' ' H ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER -74.12 -141.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.26 22.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 12' ' ' ASN . 10.3 m -66.53 -55.14 16.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.762 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -42.26 -48.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.64 86.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -37.93 64.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.851 ' O ' HG23 ' A' ' 22' ' ' VAL . 49.2 mt -75.09 -60.3 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -44.86 -50.58 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.246 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.28 -53.32 45.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.6 49.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 18' ' ' ILE . 97.4 t -75.55 -49.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.73 -12.7 28.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -77.12 -18.7 57.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.584 HG21 HG11 ' A' ' 49' ' ' VAL . 13.2 mt -69.14 117.26 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -65.51 92.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.4 -19.7 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.7 t -79.44 123.56 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -51.11 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.07 156.02 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 HG22 ' A' ' 42' ' ' VAL . 3.9 p -155.29 150.71 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 2.1 tptt -155.75 165.78 35.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.762 ' CG1' HG13 ' A' ' 15' ' ' VAL . 13.2 t -140.19 151.36 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.13 106.27 8.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.813 HD21 ' SG ' ' A' ' 11' ' ' CYS . 15.0 tp -65.11 162.03 17.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? 57.99 15.98 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 6.8 tttt -121.13 -37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 70.7 36.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -150.71 145.92 26.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.81 145.2 50.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 8.5 p -109.63 147.77 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.785 HG22 HG23 ' A' ' 31' ' ' VAL . 76.4 t -145.66 149.67 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -123.51 69.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' HB3' HG22 ' A' ' 28' ' ' VAL . 48.8 p90 -99.28 -168.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 49' ' ' VAL . 24.0 t0 -142.41 139.39 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG2' ' A' ' 50' ' ' GLN . 1.5 tt0 -70.14 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.81 5.45 24.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.25 -55.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.584 HG11 HG21 ' A' ' 25' ' ' ILE . 25.0 t -146.63 162.88 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.9 mt-30 -113.92 158.62 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.855 ' HA ' HD12 ' A' ' 54' ' ' ILE . . . -56.3 -38.42 71.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.3 t -52.71 -45.56 66.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -65.98 -39.15 90.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 51' ' ' ALA . 7.6 mt -62.8 -37.0 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.505 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -61.74 -42.49 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.27 -47.68 78.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.66 -35.78 22.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.914 HG21 ' HB2' ' A' ' 65' ' ' ALA . 26.3 mt -70.78 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -51.3 -26.56 7.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 56' ' ' GLN . 18.2 tt0 -65.3 -10.08 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.0 mt -88.55 -78.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.25 39.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.1 -172.66 3.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.26 141.22 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.914 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.53 137.71 25.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -148.62 128.19 13.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.643 HG22 ' CD2' ' A' ' 4' ' ' PHE . 71.6 t -67.2 155.01 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.578 ' N ' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 43' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -107.83 141.29 39.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 11.8 pt-20 -106.35 160.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HA ' ' O ' ' A' ' 66' ' ' GLU . 1.3 m-85 -138.07 131.65 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.725 ' H ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -78.23 132.82 37.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.517 HG11 ' CE ' ' A' ' 9' ' ' MET . 23.3 t -86.35 143.78 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 64' ' ' GLN . 11.3 mttt -155.77 155.04 32.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.34 7.22 24.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.517 ' CE ' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -71.57 157.02 38.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 3.4 m -114.01 -29.53 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.653 ' SG ' HD22 ' A' ' 35' ' ' LEU . 5.7 t 88.56 -5.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.12 72.48 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 68.13 8.65 6.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' VAL . 18.3 m -66.77 -58.44 5.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.654 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.6 -51.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -55.52 15.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -45.12 -43.72 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.487 HG23 HG12 ' A' ' 58' ' ' ILE . 41.1 mt -66.44 -64.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.726 ' HG2' HG22 ' A' ' 31' ' ' VAL . 2.5 tt0 -49.03 -32.98 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -60.55 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.14 87.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.56 -32.66 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.446 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -79.37 -18.89 72.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.85 -5.94 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 110.228 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.96 113.91 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -64.85 95.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.85 -13.57 2.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.1 132.64 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.249 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -46.29 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -141.17 156.16 45.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.726 HG22 ' HG2' ' A' ' 19' ' ' GLU . 2.5 p -145.46 144.75 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.557 ' O ' HG23 ' A' ' 33' ' ' VAL . 9.7 tptt -152.65 163.97 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.654 ' CG1' HG13 ' A' ' 15' ' ' VAL . 13.3 t -155.77 124.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 35.9 mm-40 -112.81 119.96 39.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.653 HD22 ' SG ' ' A' ' 11' ' ' CYS . 32.8 tp -67.46 -47.1 71.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 42.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 12.9 tttt -145.62 -37.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 70.98 31.07 2.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -155.01 143.31 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.05 140.6 38.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' LYS . 1.5 t -109.53 123.35 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.868 HG12 ' CD1' ' A' ' 44' ' ' PHE . 74.6 t -135.83 137.89 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HA ' ' CB ' ' A' ' 1' ' ' ALA . 2.8 tttm -115.43 100.35 8.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.868 ' CD1' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -131.27 169.23 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -96.95 132.6 42.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.1 -22.49 58.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.78 14.91 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.44 -56.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 37.2 t -134.56 160.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 17.1 mm-40 -108.39 142.7 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . . . -57.34 -42.12 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.17 -42.95 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -32.96 74.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.72 -38.64 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.57 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -65.18 -43.12 92.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 108.252 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -36.29 76.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -27.04 67.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.037 HG21 ' HB2' ' A' ' 65' ' ' ALA . 5.4 mt -78.32 -51.89 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -60.05 -28.58 67.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -9.85 25.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.1 mt -89.72 -77.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.23 39.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -142.34 -164.26 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -133.2 109.73 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -111.61 117.3 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -97.3 141.93 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.602 ' C ' HD13 ' A' ' 68' ' ' ILE . 88.5 t -86.38 137.35 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.725 HD11 ' H ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.81 124.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.12 161.01 29.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.666 ' CD2' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -131.86 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.838 ' HB2' HD11 ' A' ' 68' ' ' ILE . 1.7 t -95.08 130.89 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 64' ' ' GLN . 92.1 t -106.1 126.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -122.36 51.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.28 26.63 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.459 ' HE3' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -71.0 148.09 47.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.997 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 2.3 m -122.1 -39.43 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 10' ' ' SER . 3.7 t 93.08 170.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 2.7 m-20 80.48 66.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 74.91 5.95 4.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 m -66.15 -54.82 20.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 t -46.2 -49.04 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.0 -47.66 76.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -43.69 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -74.27 -63.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.98 -35.36 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -62.06 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.29 89.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.452 HG13 HG23 ' A' ' 54' ' ' ILE . 97.9 t -61.0 -32.54 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.61 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -80.91 -20.88 64.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' CG ' ' O ' ' A' ' 24' ' ' ARG . 21.3 ttp180 -84.03 -5.56 59.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.787 ' CG2' HG21 ' A' ' 49' ' ' VAL . 35.6 mm -64.56 118.29 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -64.47 101.04 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.49 -16.41 3.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 54' ' ' ILE . 96.1 t -85.75 124.44 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -84.87 -49.43 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -134.26 151.52 51.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.61 HG11 ' CA ' ' A' ' 23' ' ' GLY . 2.6 p -147.43 149.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 33' ' ' VAL . 6.7 tttp -155.54 165.57 36.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG22 ' CB ' ' A' ' 40' ' ' ALA . 56.9 t -155.67 144.52 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 16.5 mp0 -127.54 118.46 24.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.545 HD11 ' SG ' ' A' ' 11' ' ' CYS . 7.9 tt -67.11 -49.52 64.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.63 43.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.4 tttm -146.95 -37.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 4.1 mt-10 71.17 33.43 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -154.08 152.79 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.499 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -124.36 146.56 48.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.0 t -116.77 148.92 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 54' ' ' ILE . 75.7 t -145.19 143.65 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -118.92 75.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.622 ' HZ ' ' HB2' ' A' ' 51' ' ' ALA . 27.5 p90 -117.58 -165.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.479 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 26.9 t0 -142.39 139.49 31.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -6.88 30.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.6 -15.05 50.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -120.47 -54.71 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.787 HG21 ' CG2' ' A' ' 25' ' ' ILE . 8.1 p -136.39 151.92 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -104.38 144.35 31.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -56.51 -44.63 80.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.85 -39.1 52.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -42.6 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.652 ' CD1' HG11 ' A' ' 42' ' ' VAL . 34.9 mt -60.17 -39.77 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -42.55 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 5.2 tp60 -62.2 -44.45 96.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.42 -41.93 69.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.772 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 32.7 mt -62.4 -54.63 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -63.6 -24.33 67.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' GLN . 27.4 tt0 -65.11 -10.36 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 19.7 mt -88.38 -76.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.98 37.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.33 -172.68 3.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 111.024 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.482 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.67 143.49 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.772 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.93 141.29 27.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' SER . 3.4 mt-10 -155.38 132.28 10.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.666 HG22 ' CD2' ' A' ' 4' ' ' PHE . 91.3 t -63.97 127.3 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.838 HD11 ' HB2' ' A' ' 5' ' ' SER . 98.4 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.563 ' O ' ' CE2' ' A' ' 44' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.45 143.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' HG12 ' A' ' 68' ' ' ILE . 5.1 pm0 -96.77 172.85 7.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -146.14 130.13 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.814 ' N ' HD11 ' A' ' 68' ' ' ILE . 2.1 t -84.24 134.85 34.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 21.8 t -110.15 122.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -121.42 45.97 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.62 25.13 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.672 ' CE ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.02 140.54 43.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 111.006 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 6.2 m -113.66 -22.97 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.2 t 88.99 -146.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER 71.04 -68.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -157.93 24.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.587 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.8 m -67.02 -56.87 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.867 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.8 t -40.1 -49.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.77 -47.33 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.381 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -55.37 -46.82 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 53.4 mt -65.59 -53.17 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' OE2' HG13 ' A' ' 31' ' ' VAL . 7.4 tm-20 -55.97 -51.14 68.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -39.91 92.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -61.48 -49.93 74.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.816 ' HB ' HG21 ' A' ' 31' ' ' VAL . 61.8 t -68.77 -31.61 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.57 -7.41 61.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -13.75 28.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.8 mm -67.4 117.57 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t -65.15 102.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -20.6 3.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' A' ' 44' ' ' PHE . 2.5 t -76.27 132.58 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -45.16 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -144.89 141.84 29.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.816 HG21 ' HB ' ' A' ' 22' ' ' VAL . 1.8 p -147.06 142.62 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -155.53 163.6 39.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.867 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.4 p -142.45 153.59 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 3.1 mm-40 -126.83 124.12 38.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.672 HD13 ' CE ' ' A' ' 9' ' ' MET . 40.1 tp -66.91 -49.14 66.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.37 43.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 3.1 tttt -147.06 -38.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.4 mt-10 70.96 30.5 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -154.48 158.22 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB2' HG23 ' A' ' 33' ' ' VAL . . . -124.44 148.15 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -115.77 144.66 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.708 HG22 HG23 ' A' ' 31' ' ' VAL . 94.7 t -145.14 156.46 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -133.52 73.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD1' HG13 ' A' ' 49' ' ' VAL . 23.9 p90 -104.19 -179.82 4.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -96.48 123.21 40.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 2.5 tt0 -79.09 -5.3 53.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.55 -1.89 57.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.9 -69.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 44' ' ' PHE . 10.3 p -95.41 152.84 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.45 155.69 38.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' ' CE2' ' A' ' 4' ' ' PHE . . . -57.65 -35.69 70.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -39.04 62.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -42.22 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.485 HD12 ' CE2' ' A' ' 44' ' ' PHE . 96.6 mt -61.54 -38.69 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.512 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -62.24 -44.68 95.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.02 71.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.8 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 8.6 mt -66.43 -51.55 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -65.42 -23.5 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -65.1 -10.32 29.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.526 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 13.7 mt -88.89 -76.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.57 39.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.02 -171.04 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.15 140.13 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.8 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.77 124.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -127.89 147.52 50.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.504 ' C ' HD13 ' A' ' 68' ' ' ILE . 70.1 t -85.92 148.96 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.814 HD11 ' N ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -152.03 151.3 30.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.504 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 12.5 pt-20 -105.61 167.75 9.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.781 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 0.6 OUTLIER -139.19 128.54 24.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -84.41 126.72 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 15.3 t -101.7 133.19 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -136.04 44.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.31 23.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.553 ' SD ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -75.34 140.82 43.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 36.3 m -113.59 -19.88 11.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.9 t 89.4 -142.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 66.1 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' CYS . 1.2 t60 -149.2 20.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' VAL . 46.7 m -66.05 -60.51 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 108.263 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG23 ' SD ' ' A' ' 9' ' ' MET . 2.9 t -39.76 -49.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.38 6.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -45.41 -42.84 10.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 22' ' ' VAL . 62.2 mt -70.94 -59.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -48.68 -48.61 39.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -51.06 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -33.63 69.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.563 ' CG1' HG21 ' A' ' 31' ' ' VAL . 41.7 t -74.96 -40.59 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.43 -10.6 70.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -13.95 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.3 120.95 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -64.63 103.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.965 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -8.58 4.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.859 HG22 ' HB3' ' A' ' 44' ' ' PHE . 22.1 t -94.42 125.77 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -49.45 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 155.28 50.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.2 p -153.99 151.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -155.67 168.02 28.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HB ' HG13 ' A' ' 15' ' ' VAL . 58.9 t -151.39 134.21 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.419 ' NE2' ' HE3' ' A' ' 32' ' ' LYS . 7.2 mm-40 -107.52 102.36 11.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 60.0 tp -60.04 158.29 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt 59.39 14.73 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -118.02 -33.89 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 6' ' ' VAL . 23.5 mt-10 68.59 35.6 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -148.31 145.48 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.33 149.26 48.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.01 132.22 68.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.708 HG21 ' CD1' ' A' ' 54' ' ' ILE . 10.7 p -124.4 152.8 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.34 63.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.859 ' HB3' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -108.66 -171.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.457 ' O ' HG12 ' A' ' 49' ' ' VAL . 61.8 t0 -98.8 125.13 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' OE2' ' CZ ' ' A' ' 44' ' ' PHE . 2.0 tp10 -77.34 -26.15 51.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 17.32 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -139.03 -44.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.683 HG13 ' CD2' ' A' ' 44' ' ' PHE . 11.7 p -133.3 154.88 40.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -105.47 141.65 36.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -57.64 -43.24 84.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.404 ' HA ' HG21 ' A' ' 67' ' ' VAL . 1.0 OUTLIER -50.42 -36.13 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.44 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.27 86.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.708 ' CD1' HG21 ' A' ' 42' ' ' VAL . 20.6 mt -60.59 -38.32 77.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.862 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -58.11 -40.53 81.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.444 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -63.88 -55.12 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.87 -20.8 54.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.63 ' CD1' HG22 ' A' ' 54' ' ' ILE . 18.9 mt -76.04 -62.02 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.486 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.6 p30 -65.87 -29.19 69.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 64.7 tt0 -48.71 -21.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 17.5 mt -74.85 -71.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.37 38.28 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.41 179.04 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -105.66 139.82 39.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.577 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.91 123.82 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.4 mt-10 -115.82 119.21 35.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.862 HG23 ' SG ' ' A' ' 55' ' ' CYS . 2.2 t -66.13 135.95 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 44' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.404 ' NE2' ' C ' ' A' ' 68' ' ' ILE . 3.9 mt-30 -96.7 153.36 17.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 68' ' ' ILE . 14.6 pt-20 -106.2 168.71 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -145.32 132.85 20.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 2.1 t -85.33 130.33 34.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 43.4 t -103.93 124.65 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -125.59 44.56 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.13 22.67 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.887 ' CE ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -76.05 156.73 33.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 13.0 m -117.58 -36.33 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.876 ' SG ' HD11 ' A' ' 35' ' ' LEU . 6.4 t 84.36 75.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -165.16 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.86 5.57 4.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.3 m -66.84 -57.47 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.909 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -37.5 -49.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.13 -61.42 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -44.53 -42.69 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . 64.5 mt -70.54 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -49.8 -47.11 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -49.35 70.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -57.47 -44.03 84.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ILE . 48.5 t -69.94 -48.24 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' HG11 ' A' ' 31' ' ' VAL . . . -63.62 -10.53 37.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.0 tpt85 -88.33 -13.01 41.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.553 ' HB ' HG21 ' A' ' 28' ' ' VAL . 36.3 mm -64.28 123.32 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -65.23 113.35 3.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.18 -10.33 10.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.553 HG21 ' HB ' ' A' ' 25' ' ' ILE . 58.0 t -87.1 129.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -37.0 21.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -166.16 167.37 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.866 HG23 HG22 ' A' ' 42' ' ' VAL . 2.6 p -157.26 159.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' N ' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -155.46 164.17 39.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.909 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -135.34 152.31 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -111.16 97.27 6.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.979 HD13 ' N ' ' A' ' 36' ' ' LYS . 2.7 tm? -65.72 159.17 25.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.979 ' N ' HD13 ' A' ' 35' ' ' LEU . 12.3 tttp 49.93 22.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -131.44 -37.51 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.2 mt-10 74.29 53.65 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -147.34 161.56 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -147.2 136.58 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -127.75 141.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.866 HG22 HG23 ' A' ' 31' ' ' VAL . 95.9 t -132.84 158.72 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.95 86.14 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CE1' ' HB1' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -127.29 177.22 6.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.97 128.17 42.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.4 -22.99 62.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.65 16.95 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.31 -47.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.6 p -134.13 167.96 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.457 ' N ' HG22 ' A' ' 49' ' ' VAL . 3.5 mt-30 -124.77 145.75 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HB1' ' CE2' ' A' ' 4' ' ' PHE . . . -56.39 -41.98 77.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.59 -29.73 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -44.33 82.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.572 HG23 HG13 ' A' ' 22' ' ' VAL . 3.3 mp -61.31 -39.31 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.644 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -56.37 -42.6 78.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.06 -44.19 97.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -33.63 71.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.786 HG21 ' HB2' ' A' ' 65' ' ' ALA . 17.3 mt -71.91 -60.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.1 -29.6 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.33 -10.37 32.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.89 -79.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 168.23 38.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -145.37 -173.57 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.79 136.98 44.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.786 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -139.1 118.21 12.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.4 mt-10 -110.33 126.84 54.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.587 HG23 ' SG ' ' A' ' 55' ' ' CYS . 87.2 t -75.01 137.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' OE1' ' CG1' ' A' ' 67' ' ' VAL . 2.5 mm-40 -105.75 150.5 25.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.917 ' CD ' HD12 ' A' ' 68' ' ' ILE . 6.2 pt-20 -106.28 166.0 10.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.752 ' HD2' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -145.89 124.28 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -87.87 130.02 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 64' ' ' GLN . 5.7 t -107.77 133.31 52.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -128.57 44.86 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.77 23.9 0.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.2 151.17 38.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 p -121.19 -39.22 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.945 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.53 ' SG ' HD21 ' A' ' 35' ' ' LEU . 3.9 t 89.39 160.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 108.299 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 2.4 m-20 80.59 76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.535 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.3 t-80 89.8 -19.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' VAL . 9.1 m -65.26 -60.9 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.974 HG13 HG11 ' A' ' 33' ' ' VAL . 2.7 t -38.69 -50.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.26 -54.54 23.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -44.66 -39.68 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.4 -64.99 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -46.67 -47.85 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.23 -51.21 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.07 -38.9 71.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.454 HG11 ' CG2' ' A' ' 42' ' ' VAL . 16.9 t -74.73 -41.36 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.99 60.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 5.0 ttm-85 -90.75 -13.23 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 49' ' ' VAL . 32.8 mm -66.04 118.5 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 29.3 t -65.37 95.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.98 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.74 -16.12 1.79 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.619 HG13 HG13 ' A' ' 42' ' ' VAL . 42.6 t -85.57 128.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.39 -48.03 9.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -136.68 156.35 48.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG21 ' HB ' ' A' ' 22' ' ' VAL . 2.5 p -144.92 149.91 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.68 164.49 38.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.974 HG11 HG13 ' A' ' 15' ' ' VAL . 5.4 p -133.64 151.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.646 HE22 HG23 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -124.5 90.27 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.53 HD21 ' SG ' ' A' ' 11' ' ' CYS . 12.8 tp -65.61 170.29 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 pttp 42.19 28.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 1.7 tttt -144.11 -38.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.1 mt-10 74.02 54.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -146.78 147.71 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' PHE . . . -124.72 142.62 51.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG23 HE22 ' A' ' 34' ' ' GLN . 23.1 t -118.89 141.82 36.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.619 HG13 HG13 ' A' ' 28' ' ' VAL . 77.2 t -145.79 152.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -127.33 67.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.667 ' CZ ' ' HB2' ' A' ' 51' ' ' ALA . 24.3 p90 -109.69 -164.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.477 ' N ' ' CD2' ' A' ' 44' ' ' PHE . 4.3 t70 -143.34 143.45 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -70.75 -6.79 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.33 -17.96 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.499 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -111.48 -55.77 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' CG2' ' A' ' 25' ' ' ILE . 25.2 t -143.72 159.67 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.1 mt-30 -101.96 145.03 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . . . -55.88 -45.08 78.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -37.21 57.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -43.79 92.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.52 HD11 ' CG2' ' A' ' 28' ' ' VAL . 96.4 mt -61.11 -37.46 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -63.3 -40.28 96.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.457 ' HA ' ' ND2' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -60.09 -57.65 11.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -21.51 52.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 7.5 mt -74.19 -60.82 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.477 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 4.5 p30 -66.27 -30.3 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 9.3 tt0 -50.04 -20.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.2 mt -73.93 -70.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.18 37.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.67 179.29 7.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.737 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -105.72 141.9 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.495 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -147.5 150.15 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.0 pt-20 -153.55 126.05 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.752 HG22 ' HD2' ' A' ' 4' ' ' PHE . 89.7 t -68.94 148.38 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.917 HD12 ' CD ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -147.61 159.74 43.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.5 pt-20 -132.51 166.42 22.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.657 ' HE2' ' HB1' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -146.27 133.69 20.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 65' ' ' ALA . 2.2 t -87.53 131.68 34.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 42.9 t -107.75 131.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -134.11 48.99 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 27.4 0.18 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.62 149.78 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -121.41 -40.24 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 10' ' ' SER . 1.6 t 89.19 173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.32 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER 74.08 69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.529 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.2 t60 89.81 -12.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.568 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -65.7 -57.25 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG13 ' CG1' ' A' ' 33' ' ' VAL . 2.7 t -42.69 -48.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.51 -57.35 8.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -44.23 -45.13 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.21 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.68 -49.73 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -65.1 -48.22 74.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -56.78 -46.23 81.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.48 HG11 ' CG2' ' A' ' 42' ' ' VAL . 53.4 t -70.35 -32.17 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.575 ' CA ' HG11 ' A' ' 31' ' ' VAL . . . -76.64 -23.08 70.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -76.56 -5.52 48.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.839 HG21 HG12 ' A' ' 54' ' ' ILE . 37.5 mm -68.27 119.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -64.87 103.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.979 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.92 -5.0 5.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.4 t -94.0 142.74 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.31 -39.74 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -140.21 148.25 41.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG11 ' CA ' ' A' ' 23' ' ' GLY . 1.6 p -154.83 145.91 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 30.3 tttt -155.39 164.92 38.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' HG13 ' A' ' 15' ' ' VAL . 5.0 p -134.37 156.92 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' CB ' ' HD2' ' A' ' 37' ' ' LYS . 30.5 mm-40 -130.35 103.41 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.8 161.26 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp 54.03 18.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HD2' ' CB ' ' A' ' 34' ' ' GLN . 7.9 tttt -122.33 -36.24 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 72.2 mt-10 69.44 42.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.4 146.85 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.5 143.1 51.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 11.0 p -107.56 143.47 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' CD2' ' A' ' 44' ' ' PHE . 73.4 t -145.71 146.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.54 96.78 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.649 ' CE2' HD12 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -129.9 -179.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -95.38 131.67 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.59 -23.41 60.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.5 17.01 4.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -46.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.504 ' CG1' ' HB2' ' A' ' 44' ' ' PHE . 9.4 p -133.7 166.39 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' N ' HG22 ' A' ' 49' ' ' VAL . 2.0 mm-40 -104.37 -101.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.657 ' HB1' ' HE2' ' A' ' 4' ' ' PHE . . . -174.92 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.757 ' HA ' HG21 ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.37 -31.87 72.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -43.23 87.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.839 HG12 HG21 ' A' ' 25' ' ' ILE . 34.7 mt -59.44 -40.35 81.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.498 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 0.1 OUTLIER -56.26 -41.38 75.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -32.19 57.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -65.4 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.802 HG21 ' HB2' ' A' ' 65' ' ' ALA . 1.9 mp -64.8 -58.6 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 61' ' ' LEU . 12.4 m-20 -54.15 -25.87 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.66 31.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' H ' ' C ' ' A' ' 59' ' ' ASN . 3.8 mt -141.38 -75.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 169.02 39.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.1 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -106.13 143.55 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.802 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -145.93 131.13 18.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -124.87 121.81 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.757 HG21 ' HA ' ' A' ' 52' ' ' THR . 98.1 t -67.29 140.25 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -100.16 166.98 10.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.5 pt-20 -106.06 149.55 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.538 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -134.64 131.45 37.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.517 ' CB ' HD11 ' A' ' 68' ' ' ILE . 2.0 t -82.95 125.95 31.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 6' ' ' VAL . 5.1 p -103.17 118.48 50.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' CB ' ' HB2' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -123.73 -172.87 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.05 16.53 6.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.476 ' SD ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.3 146.11 41.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 14.1 m -88.72 -39.91 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.9 ' SG ' HD21 ' A' ' 35' ' ' LEU . 4.4 t 96.34 61.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 108.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.03 -81.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.633 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 16.3 t60 -124.91 15.46 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.611 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 9' ' ' MET . 8.6 m -65.25 -61.55 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.905 HG21 ' HB2' ' A' ' 35' ' ' LEU . 2.8 t -37.48 -51.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB3' ' ND1' ' A' ' 13' ' ' HIS . . . -65.88 -45.17 83.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -54.71 -47.71 73.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 1.003 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.3 mm -63.89 -56.07 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.81 ' HG2' HG22 ' A' ' 31' ' ' VAL . 1.1 tm-20 -53.14 -50.94 63.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.85 -46.11 79.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -54.14 -30.73 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.003 HG23 ' O ' ' A' ' 18' ' ' ILE . 65.0 t -73.21 -38.72 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.63 -9.43 38.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -87.01 -23.88 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 22' ' ' VAL . 10.2 mt -68.24 114.13 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.7 t -64.59 99.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.31 -12.48 3.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG11 HG12 ' A' ' 22' ' ' VAL . 2.2 t -82.83 132.04 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.45 -48.94 3.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -126.2 151.43 47.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.982 HG21 ' HB ' ' A' ' 22' ' ' VAL . 3.5 p -155.79 144.42 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -155.45 161.75 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 85.5 t -150.98 148.71 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.437 ' HG3' ' NZ ' ' A' ' 32' ' ' LYS . 6.3 mt-30 -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.905 ' HB2' HG21 ' A' ' 15' ' ' VAL . 13.0 tp -65.66 164.97 13.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.2 mttt 54.63 18.59 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -41.83 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' SER . 20.0 mt-10 76.4 30.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -140.69 138.7 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB1' HG22 ' A' ' 33' ' ' VAL . . . -127.9 149.18 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -122.64 135.75 61.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 HG23 ' A' ' 31' ' ' VAL . 65.6 t -134.9 153.02 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -131.85 98.43 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 54' ' ' ILE . 3.2 p90 -133.88 -179.59 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -96.05 132.18 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.41 -23.24 57.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.44 13.38 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 -52.4 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.441 HG11 HG21 ' A' ' 25' ' ' ILE . 41.2 t -134.42 155.91 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -114.08 147.22 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.506 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -55.69 -41.49 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 1.7 t -54.01 -45.55 71.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -65.99 -38.32 88.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.633 HD12 ' CZ ' ' A' ' 44' ' ' PHE . 97.0 mt -62.38 -38.37 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -64.84 -42.87 94.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.95 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.844 HD12 HG23 ' A' ' 18' ' ' ILE . 16.0 mm -79.62 -45.51 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -65.01 -31.42 72.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -10.46 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.7 mt -80.49 -75.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 63' ' ' TYR . . . 164.97 42.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.611 ' CE2' HD11 ' A' ' 18' ' ' ILE . 1.4 m-85 -145.05 -177.01 5.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 0.747 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.506 ' HB2' ' CB ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -105.31 97.23 7.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.686 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -102.46 120.46 40.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.1 mm-40 -114.14 139.59 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.432 HG22 ' SG ' ' A' ' 55' ' ' CYS . 88.0 t -85.69 129.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.517 HD11 ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' H2 ' HG13 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 4' ' ' PHE . 5.2 mm100 -131.29 125.23 32.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 15.6 pt-20 -86.37 146.32 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.674 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -127.74 129.31 46.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.603 ' H ' HD13 ' A' ' 68' ' ' ILE . 1.9 t -85.33 131.06 34.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 20.4 t -107.42 135.8 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -134.07 45.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.16 24.64 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 152.11 38.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.8 m -118.83 -36.36 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.723 ' SG ' HD21 ' A' ' 35' ' ' LEU . 5.4 t 88.14 52.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.479 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.6 m-20 -145.37 56.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.496 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER 85.1 7.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 m -65.92 -59.98 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.8 t -40.37 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.45 65.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -38.06 17.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.745 HG23 HG12 ' A' ' 58' ' ' ILE . 55.8 mt -73.43 -63.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HG2' HG13 ' A' ' 31' ' ' VAL . 2.4 tm-20 -48.98 -39.08 25.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -53.75 38.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -51.71 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 54' ' ' ILE . 40.9 t -54.65 -35.6 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.36 -14.59 82.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -87.9 -12.92 43.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.82 121.05 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -65.59 99.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.12 -12.36 3.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.799 HG22 ' HB3' ' A' ' 44' ' ' PHE . 30.7 t -91.7 134.15 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 4.7 tttt -99.22 -47.81 5.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' C ' ' A' ' 29' ' ' LYS . 5.0 mmmt -131.34 156.56 45.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.431 HG13 ' HG2' ' A' ' 19' ' ' GLU . 5.1 p -155.29 151.22 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' C ' HG23 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -155.72 166.82 32.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.543 HG22 ' CB ' ' A' ' 40' ' ' ALA . 76.8 t -153.33 141.72 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 6.8 mm-40 -119.78 120.33 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.723 HD21 ' SG ' ' A' ' 11' ' ' CYS . 15.0 tp -67.12 -46.53 73.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -85.06 42.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -145.96 -39.04 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 3.8 mt-10 70.64 29.98 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -153.26 137.54 16.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.543 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -105.44 152.35 23.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.43 147.33 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG13 ' H2 ' ' A' ' 1' ' ' ALA . 11.6 p -133.77 152.65 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -129.32 65.63 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.799 ' HB3' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -115.2 -176.87 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -21.05 54.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.18 8.67 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.46 -46.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 50' ' ' GLN . 60.6 t -135.57 166.69 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.515 ' N ' HG12 ' A' ' 49' ' ' VAL . 4.2 mm100 -117.61 141.74 48.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.674 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -57.9 -41.69 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.64 -39.04 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -42.99 92.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.643 HG23 HG22 ' A' ' 22' ' ' VAL . 73.4 mt -62.58 -38.16 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.525 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -60.85 -42.14 97.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 108.323 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -58.29 -40.04 80.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.64 -34.81 74.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.745 HG12 HG23 ' A' ' 18' ' ' ILE . 5.8 mt -72.04 -49.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -65.05 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -14.84 13.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.8 mt -78.64 -72.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.12 39.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -145.93 -173.94 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 1.7 tp60 -105.82 129.95 53.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -146.05 127.53 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -126.2 150.85 48.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.971 ' C ' HD12 ' A' ' 68' ' ' ILE . 87.9 t -84.92 122.58 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.971 HD12 ' C ' ' A' ' 67' ' ' VAL . 1.8 mp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.73 140.63 49.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 1.7 pt-20 -93.79 152.0 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 3' ' ' GLU . 1.3 m-85 -137.24 128.5 27.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 2.5 t -82.52 130.62 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 11.1 t -110.82 123.07 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -122.65 48.34 1.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.85 24.4 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.95 151.14 37.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.4 -0.35 6.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.972 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' SG ' HD21 ' A' ' 35' ' ' LEU . 0.9 OUTLIER 57.68 -152.31 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.49 ' N ' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER 67.54 -71.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -142.09 9.03 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.6 m -68.46 -59.24 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' CYS . 3.0 t -36.98 -50.46 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.0 6.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -45.51 -40.88 9.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.857 HG23 HD12 ' A' ' 58' ' ' ILE . 59.8 mt -72.93 -61.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HG2' HG13 ' A' ' 31' ' ' VAL . 2.0 tm-20 -47.55 -50.41 23.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.29 -49.0 73.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 17' ' ' ARG . . . -55.51 -39.53 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.845 ' CG2' HD11 ' A' ' 58' ' ' ILE . 78.8 t -73.29 -31.56 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.926 ' HA2' HG11 ' A' ' 28' ' ' VAL . . . -81.49 6.61 64.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.31 -16.67 23.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.03 HD13 HG12 ' A' ' 54' ' ' ILE . 12.9 mt -64.27 124.12 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -65.49 94.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.44 -15.74 1.85 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.926 HG11 ' HA2' ' A' ' 23' ' ' GLY . 1.2 p -77.54 142.49 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HG2' ' CG ' ' A' ' 30' ' ' LYS . 24.4 tttp -111.85 -46.76 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 29' ' ' LYS . 1.7 mttp -135.3 154.86 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 19' ' ' GLU . 2.5 p -156.39 146.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -154.73 165.29 37.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -139.76 144.41 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.79 97.06 6.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.482 HD21 ' SG ' ' A' ' 11' ' ' CYS . 29.8 tp -61.01 163.72 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.79 19.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -128.07 -45.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 39' ' ' LYS . 13.5 mt-10 81.64 43.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.257 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -149.04 153.57 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.59 140.04 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -112.24 152.06 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.51 ' CG1' ' CD2' ' A' ' 44' ' ' PHE . 95.1 t -146.8 157.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -134.89 76.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.2 OUTLIER -111.99 -179.63 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 49' ' ' VAL . 49.0 t0 -93.6 123.37 36.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -78.03 -4.71 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.465 ' HB3' ' OD2' ' A' ' 45' ' ' ASP . . . -79.0 -25.88 43.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -115.03 -67.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.614 HG11 ' HB2' ' A' ' 44' ' ' PHE . 8.4 p -84.75 164.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -112.23 -101.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.14 -41.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.853 ' HA ' HG21 ' A' ' 67' ' ' VAL . 0.8 OUTLIER -66.27 -36.59 83.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -34.74 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.03 HG12 HD13 ' A' ' 25' ' ' ILE . 93.9 mt -66.11 -36.97 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.507 ' SG ' HG23 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -61.37 -41.43 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -36.33 63.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.66 76.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.857 HD12 HG23 ' A' ' 18' ' ' ILE . 17.4 mm -68.9 -53.16 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -62.71 -26.41 68.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.26 -11.78 34.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.8 mt -86.18 -77.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.424 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.81 37.96 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -145.16 -173.59 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.743 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -105.41 142.87 34.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.659 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -145.78 126.29 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.9 mt-10 -124.84 117.77 24.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.853 HG21 ' HA ' ' A' ' 52' ' ' THR . 10.9 t -67.67 131.79 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.442 HD11 ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 77.86 112.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 15.4 pt-20 -88.45 164.49 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -129.01 126.98 40.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.707 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.8 t -79.81 128.05 32.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 2.8 t -98.4 125.93 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -125.18 44.54 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.95 25.66 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.67 ' CE ' HD13 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -73.9 143.15 45.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.19 -18.88 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.022 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 10' ' ' SER . 0.8 OUTLIER 87.8 -154.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.344 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.7 m120 80.43 -67.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.414 ' NE2' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -162.76 27.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 15' ' ' VAL . 6.9 m -67.05 -56.98 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.442 HG13 ' HB ' ' A' ' 33' ' ' VAL . 2.9 t -39.49 -49.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.14 -59.18 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -46.17 -43.98 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 22' ' ' VAL . 72.9 mt -64.71 -59.63 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.36 -49.02 65.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.33 -45.28 84.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' ARG . . . -55.61 -38.24 69.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' ILE . 82.7 t -73.47 -51.28 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.4 -22.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -15.17 60.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.793 HG21 HG11 ' A' ' 49' ' ' VAL . 28.7 mm -70.69 111.68 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 t -60.39 100.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.77 -13.22 2.66 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.11 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 44' ' ' PHE . 5.7 t -90.13 128.57 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -91.22 -49.04 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.56 153.18 51.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.81 HG23 HG22 ' A' ' 42' ' ' VAL . 2.3 p -156.42 148.39 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -148.67 164.33 34.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG22 ' HB1' ' A' ' 40' ' ' ALA . 43.0 t -149.54 140.72 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 37' ' ' LYS . 21.5 mp0 -123.3 120.17 32.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD13 ' CE ' ' A' ' 9' ' ' MET . 20.5 tp -67.13 -48.35 68.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -83.56 42.2 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 7.6 tttt -146.52 -37.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 2.5 mt-10 71.25 35.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.04 151.17 28.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB1' HG22 ' A' ' 33' ' ' VAL . . . -124.7 128.26 48.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 32' ' ' LYS . 14.7 p -97.87 147.17 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.81 HG22 HG23 ' A' ' 31' ' ' VAL . 86.0 t -143.75 144.04 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -118.72 81.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.814 ' HB3' HG22 ' A' ' 28' ' ' VAL . 10.3 p90 -130.14 172.51 11.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . 17.6 t0 -99.22 138.45 36.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 1.6 tt0 -76.69 -4.06 41.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 -28.06 25.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -100.9 -53.65 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.793 HG11 HG21 ' A' ' 25' ' ' ILE . 25.9 t -133.7 144.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -106.03 150.2 25.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.414 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . . . -55.3 -47.83 75.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.1 -40.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.51 -46.52 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.27 -39.15 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.49 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -55.39 -42.82 74.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.285 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -57.53 -45.97 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.5 -34.33 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.641 ' CG2' ' HB2' ' A' ' 65' ' ' ALA . 23.5 mt -73.3 -58.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -55.07 -30.7 60.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.3 -11.16 38.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' CB ' ' CE2' ' A' ' 63' ' ' TYR . 24.2 mt -79.46 -28.77 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.488 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 115.24 17.93 6.48 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' CB ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -124.65 -171.26 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -105.05 137.93 42.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.641 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . . . -143.29 136.08 27.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -141.97 127.97 19.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 4' ' ' PHE . 85.4 t -64.97 136.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 66' ' ' GLU . 1.5 mp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.836 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.2 tp60 -136.71 163.68 30.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.7 OUTLIER -133.65 135.85 44.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.902 ' CZ ' HG11 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -116.33 132.34 56.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.765 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.9 t -85.51 126.64 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.033 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 38' ' ' GLU . 5.1 p -99.28 131.63 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -138.37 50.63 1.88 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.91 25.79 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.505 ' SD ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -75.84 145.4 40.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 83.4 p -106.41 -41.84 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' CB ' ' O ' ' A' ' 10' ' ' SER . 4.7 t 96.5 58.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.46 -80.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -130.26 12.17 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.6 ' SG ' ' CE1' ' A' ' 63' ' ' TYR . 36.1 m -65.92 -57.68 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.992 HG13 ' CG1' ' A' ' 33' ' ' VAL . 3.3 t -39.68 -49.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.58 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -49.48 7.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.34 -55.54 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 1.6 tm-20 -53.28 -50.39 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 19' ' ' GLU . 1.3 tt0 -65.24 -45.23 85.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.05 -36.19 38.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.995 HG12 HG11 ' A' ' 28' ' ' VAL . 29.1 t -72.28 -64.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.69 -20.44 2.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -31.83 62.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 22' ' ' VAL . 5.7 mt -64.11 121.38 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' VAL . 21.1 t -63.64 96.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.02 -21.68 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.995 HG11 HG12 ' A' ' 22' ' ' VAL . 51.7 t -87.26 120.78 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.39 -51.85 6.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -137.9 153.26 49.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.695 HG21 HG11 ' A' ' 22' ' ' VAL . 3.0 p -156.51 155.41 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 3.3 ttpp -154.86 164.25 39.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.992 ' CG1' HG13 ' A' ' 15' ' ' VAL . 4.8 p -134.8 145.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.14 106.32 10.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.505 HD13 ' SD ' ' A' ' 9' ' ' MET . 36.6 tp -62.51 160.09 14.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 1.3 tttp 57.96 16.42 3.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -119.45 -34.92 3.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HA ' HG12 ' A' ' 6' ' ' VAL . 58.1 mt-10 67.77 33.78 4.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' C ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -151.23 144.25 24.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.83 137.05 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.6 p -95.14 134.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.902 HG11 ' CZ ' ' A' ' 4' ' ' PHE . 11.1 p -124.31 148.51 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' LYS . 53.1 tttt -129.04 73.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.742 ' HB3' HG22 ' A' ' 28' ' ' VAL . 19.6 p90 -121.88 -163.32 1.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -143.36 144.94 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -5.91 46.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -18.71 42.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.62 -53.29 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG11 ' CG2' ' A' ' 25' ' ' ILE . 24.8 t -147.05 155.54 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -97.9 146.22 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.755 ' HB1' ' HE1' ' A' ' 4' ' ' PHE . . . -56.29 -45.93 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.4 t -47.64 -46.22 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -66.59 -35.42 80.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 51' ' ' ALA . 65.1 mt -62.86 -37.9 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.512 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -56.33 -41.71 76.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.97 74.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.769 ' CB ' HD11 ' A' ' 25' ' ' ILE . . . -53.69 -33.83 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.736 HG21 ' HB2' ' A' ' 65' ' ' ALA . 3.4 mt -73.78 -57.19 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -55.92 -29.11 59.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.88 -11.0 32.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.8 mt -84.52 -76.03 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.486 ' C ' ' CD1' ' A' ' 63' ' ' TYR . . . 163.55 40.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE1' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -145.11 -171.46 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 110.976 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -105.95 129.86 54.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB2' HG21 ' A' ' 58' ' ' ILE . . . -137.92 135.74 36.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.65 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -140.48 131.35 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.468 ' C ' HD12 ' A' ' 68' ' ' ILE . 92.1 t -67.79 134.37 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 5' ' ' SER . 1.6 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 stop_ save_