data_1ygw_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 1ygw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -125.56 -10.38 6.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.728 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 86.9 m-85 -131.18 88.11 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.447 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 7.4 m -99.17 107.93 20.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 12.4 m -84.11 64.63 8.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.36 -54.06 0.64 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.458 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 15.0 p -130.56 54.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 0.796 . . . . 0.0 109.952 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.724 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -144.31 -175.09 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.61 61.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.728 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.82 97.23 4.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -63.15 179.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.495 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -50.85 -17.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -80.58 -30.29 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.706 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.66 -41.93 17.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 75.6 t -53.36 -51.14 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.557 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.3 t -35.7 -55.83 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.75 -50.55 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.03 -41.68 97.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 7.3 mt-30 -59.91 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -34.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' CB ' HG23 ' A' ' 67' ' ' VAL . . . -71.58 -56.55 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.587 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.55 -43.77 85.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.67 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 3.3 t80 -63.52 -63.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 21.2 tptm -38.78 -61.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 32' ' ' THR . 2.7 tp -57.84 -35.24 70.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.843 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.4 t60 -66.33 -51.05 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.75 -26.22 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -16.66 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.77 22.79 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 66.5 mm-40 -99.25 176.89 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.588 ' C ' HD23 ' A' ' 26' ' ' LEU . 76.9 p -129.02 178.57 6.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.702 HG22 ' CH2' ' A' ' 59' ' ' TRP . 2.9 m -135.09 124.61 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.576 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 85.13 -149.77 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.1 p -95.85 -10.7 28.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -83.49 -163.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.6 p -126.44 46.17 2.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.7 m-85 -96.48 145.43 29.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.587 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -75.0 -171.86 9.97 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.974 0.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.59 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.0 p80 -178.48 162.35 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -44.12 155.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.715 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 12.0 t80 -144.4 10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -7.94 88.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.785 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -51.11 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.785 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.46 -43.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.499 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -44.24 -20.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 119.11 54.91 0.27 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.705 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 87.3 m-85 -99.75 133.35 44.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.89 69.05 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.705 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 15.0 m-30 -75.75 102.68 5.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.9 p -71.42 29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.6 HG22 ' OD1' ' A' ' 81' ' ' ASN . 14.4 m -129.87 160.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.678 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.6 t -90.17 147.53 23.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.952 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.804 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -73.02 172.26 8.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.804 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.992 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.587 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-85 -98.18 128.19 44.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.0 m-30 -107.64 126.47 52.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 8.6 pt-20 -92.37 135.14 34.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.09 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 28.1 t-105 -146.74 149.86 37.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.09 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.97 151.93 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.413 1.744 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.536 ' HB ' HG12 ' A' ' 78' ' ' VAL . 9.3 tt -120.56 117.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 68' ' ' TYR . 88.2 mt -87.38 120.66 28.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -57.7 -10.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -90.03 -15.64 31.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.33 38.39 15.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 62' ' ' LEU . 68.6 m-20 -113.68 -172.73 2.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.5 HG23 ' CB ' ' A' ' 22' ' ' ALA . 25.0 t -109.46 108.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.74 ' OH ' ' N ' ' A' ' 72' ' ' SER . 17.5 t80 -43.73 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.433 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 30.3 p -162.37 52.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.648 ' O ' ' CE2' ' A' ' 68' ' ' TYR . . . -161.84 -167.85 22.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.498 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -101.18 -31.85 5.47 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 13.8 m -112.77 83.91 6.19 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.661 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.592 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 149.43 171.89 18.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.805 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -54.47 -45.24 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.631 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 7.6 m-20 -59.65 126.33 27.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.661 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -151.59 139.78 20.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 59' ' ' TRP . 1.9 m -105.73 144.59 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.88 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -121.59 138.81 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.903 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -147.39 -161.64 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.795 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.1 OUTLIER -133.35 -164.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.636 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.5 tt0 -92.79 19.8 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.795 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.74 -30.18 9.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 110.96 21.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.838 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 56.0 mt-30 -96.04 -175.09 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.562 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -128.96 127.16 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.88 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.7 -39.89 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 165.13 -137.82 4.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 103' ' ' CYS . 19.7 t -147.98 96.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.605 HD12 ' CG2' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -90.64 166.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.805 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.11 150.18 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.732 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.5 m170 -76.43 15.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -50.74 87.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 35.21 40.27 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.661 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.28 -13.06 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.1 t 99.59 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.008 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.423 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 122.04 -131.94 8.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -94.58 9.57 38.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.754 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.61 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -73.26 158.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.732 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -112.03 167.58 10.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.628 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 31.3 m -162.68 133.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.555 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -53.69 125.71 19.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.251 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.2 m -56.48 -168.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -128.96 -11.03 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.674 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 91.1 m-85 -130.17 91.28 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 111.046 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.493 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 53.5 m -100.22 103.99 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 9.3 m -81.72 65.41 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.7 -55.09 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 12.2 p -130.55 54.52 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.72 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.23 -176.23 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.73 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.97 101.26 6.49 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -62.72 178.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.461 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -51.89 -17.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.3 t -81.7 -29.39 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.73 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.74 -42.59 16.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 62.0 t -50.26 -50.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 12.2 t -36.22 -53.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.81 -54.47 7.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.529 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -58.56 -41.71 86.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 11.0 mt-30 -59.48 -54.9 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -38.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.84 -53.14 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.579 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -56.37 -41.82 88.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.173 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.656 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 8.8 t80 -67.89 -67.23 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 24.1 tptm -42.15 -53.29 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.772 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 11.1 tp -62.9 -35.13 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.872 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.8 t60 -65.75 -47.01 76.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.618 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -62.93 -25.05 68.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.5 m-20 -84.49 -22.11 30.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 24.03 69.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.502 1.127 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.669 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 24.3 mm-40 -100.91 176.8 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 0.795 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.9 p -128.01 -178.33 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.772 ' CG1' ' CD2' ' A' ' 26' ' ' LEU . 13.2 m -136.43 131.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 72.38 -149.87 44.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.2 p -97.66 14.24 27.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 0.0 109.943 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -102.76 -167.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -123.01 40.1 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -97.25 145.94 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.579 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.0 -171.58 9.59 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.962 0.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.616 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.3 p80 179.46 162.62 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.58 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.13 168.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.708 ' O ' ' C ' ' A' ' 43' ' ' ASN . 33.2 t80 -151.03 12.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.708 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.2 m-80 -7.63 85.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -53.25 158.23 1.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.386 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -166.95 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.7 mm-40 -43.26 -21.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.69 57.18 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.695 ' CZ ' ' OH ' ' A' ' 42' ' ' TYR . 81.9 m-85 -100.02 133.24 44.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 0.816 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.45 74.59 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.653 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 18.2 m-30 -81.06 109.01 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -75.11 28.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.06 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG22 ' OD1' ' A' ' 81' ' ' ASN . 5.2 m -129.87 158.53 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.693 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 m -88.08 149.7 23.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.826 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -74.71 173.36 6.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.826 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.5 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.031 -0.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.1 m-85 -97.29 127.3 43.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.872 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 12.4 m-30 -107.9 123.82 49.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.9 pt-20 -92.34 128.95 38.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.018 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 25.2 t-105 -144.03 148.24 41.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.018 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.02 153.19 41.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 11' ' ' TYR . 4.1 tt -123.73 114.99 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 68' ' ' TYR . 60.6 mt -84.07 121.46 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -7.72 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -88.99 -20.01 24.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.41 8.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 62' ' ' LEU . 1.1 m-20 -112.64 -172.66 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.8 t -111.24 108.12 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.534 1.146 . . . . 0.0 109.198 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.893 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.4 t80 -40.13 138.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.611 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 18.3 p -149.29 60.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.605 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -159.84 -144.99 4.13 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.737 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.21 -31.85 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 74' ' ' GLY . 84.1 p -116.3 82.65 12.0 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.668 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 43.67 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.056 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 71.28 -97.48 0.68 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.677 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -154.01 -37.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.726 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.7 m-20 -59.51 132.33 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.726 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.6 mmt-85 -151.43 145.15 25.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.802 ' N ' ' O ' ' A' ' 59' ' ' TRP . 5.5 m -113.27 138.9 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 82.2 t -114.24 137.79 46.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.843 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.5 p90 -148.85 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.766 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -140.48 -171.32 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.656 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 11.1 tp10 -87.42 12.0 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.088 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.25 -23.23 13.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.182 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.65 24.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.088 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.7 mt-30 -106.34 133.36 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.55 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.3 131.84 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.17 -39.0 63.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 167.96 -137.08 4.4 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.744 ' O ' ' N ' ' A' ' 103' ' ' CYS . 86.1 t -148.39 90.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 1.6 pt -86.78 166.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.677 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -160.84 150.21 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.611 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.8 m170 -73.4 16.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.549 ' H ' ' C ' ' A' ' 91' ' ' THR . 98.6 m -58.71 -125.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.533 ' H ' ' CG2' ' A' ' 93' ' ' THR . . . -68.76 49.83 0.48 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -81.74 -31.01 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.9 t 80.5 36.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.053 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.61 -134.24 5.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.162 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -96.68 8.13 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.492 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -69.98 -165.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.635 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 38.4 m-85 -141.25 166.18 25.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.635 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 32.6 m -162.47 134.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.4 125.66 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.9 m -55.42 -165.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.653 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -39.59 -29.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.74 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 80.3 m-85 -139.25 109.32 6.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.547 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -118.28 106.15 12.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -80.72 66.5 6.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.3 -47.49 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.8 p -157.96 49.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.807 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -124.27 -166.8 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.653 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.46 76.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.333 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.888 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m-85 -90.67 50.78 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.798 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -27.76 152.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 p -39.15 -23.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.052 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.0 t -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.888 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -82.31 -22.28 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.74 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 42.9 t -76.46 -71.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.565 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -41.6 -54.02 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -49.51 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.482 ' CB ' HG12 ' A' ' 78' ' ' VAL . . . -60.76 -43.75 97.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.768 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 8.3 mt-30 -61.52 -58.95 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.88 -36.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -74.65 -53.2 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -56.26 -44.44 89.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.584 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.2 t80 -69.48 -63.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 0.769 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 23.0 tptm -34.73 -61.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.604 HD23 ' C ' ' A' ' 32' ' ' THR . 3.0 tp -58.57 -38.22 77.43 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.851 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.2 t60 -64.04 -49.36 72.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -59.31 -26.98 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -88.36 -16.12 33.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.78 22.31 74.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 65.5 mm-40 -99.57 176.06 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.604 ' C ' HD23 ' A' ' 26' ' ' LEU . 79.1 p -126.76 -178.5 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.172 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.68 HG22 ' CH2' ' A' ' 59' ' ' TRP . 3.5 m -136.16 123.08 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.564 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 83.32 -148.91 25.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -96.15 -8.66 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.603 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -84.31 -163.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 39' ' ' PRO . 52.6 p -125.99 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.603 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -97.62 147.37 32.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.531 ' HD3' HD21 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -166.04 4.6 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.995 -0.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.642 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.3 p80 179.63 166.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -46.65 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.701 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 33.3 t80 -154.64 14.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.6 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -52.93 172.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.793 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 176.54 -43.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -44.75 -20.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.6 56.69 0.35 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.709 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 78.1 m-85 -100.46 132.01 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 69.08 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.7 m-30 -76.77 108.5 9.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -77.0 25.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 50' ' ' PHE . 9.0 m -125.92 155.42 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.722 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 17.0 m -88.54 145.94 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.83 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -68.95 172.17 5.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.83 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 157.53 99.52 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.985 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.664 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.9 m-85 -98.06 129.35 44.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.914 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.5 m-30 -110.32 126.0 53.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.642 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.9 pp20? -87.24 140.46 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.943 ' O ' ' N ' ' A' ' 78' ' ' VAL . 55.1 t-105 -156.21 144.86 14.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.94 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 146.74 32.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.445 1.761 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.498 HG23 ' CB ' ' A' ' 76' ' ' ASP . 12.4 tt -114.56 116.66 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.612 1.195 . . . . 0.0 109.22 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 68' ' ' TYR . 21.8 mt -87.27 124.46 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.19 0.48 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -99.09 -14.47 19.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.15 39.8 9.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.413 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 2.3 m-20 -113.29 -172.08 2.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' SER . 6.6 t -117.55 105.06 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.94 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.5 t80 -43.49 91.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' VAL . 87.1 p -101.68 36.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.684 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -137.72 -162.55 9.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.67 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -111.22 -23.16 5.88 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.8 p -115.49 89.01 20.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.789 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.04 -49.7 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.457 1.767 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.624 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 148.24 -109.68 0.47 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.651 ' HB2' ' H ' ' A' ' 92' ' ' HIS . . . -131.96 -40.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 0.812 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.669 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -64.51 137.7 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.789 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 18.4 mmt-85 -152.91 140.32 19.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.943 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -105.39 127.07 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.161 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.4 t -104.62 122.56 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.1 p90 -135.49 -160.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.839 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -135.9 -166.31 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.612 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 13.9 tt0 -89.03 6.34 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.097 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -96.95 -22.38 16.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.71 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.52 22.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.097 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.5 mt-30 -107.42 130.33 54.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.926 HD23 ' H ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -87.93 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.161 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -69.29 -45.07 70.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.926 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 175.77 -132.52 2.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.781 ' O ' ' N ' ' A' ' 103' ' ' CYS . 42.1 t -150.93 95.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.73 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.673 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -87.26 170.22 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.714 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.13 147.29 12.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.163 . . . . 0.0 110.424 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.651 ' H ' ' HB2' ' A' ' 75' ' ' ALA . 16.7 m170 -64.43 -1.17 1.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.577 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.514 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -80.95 169.86 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 33.96 40.84 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.596 ' CB ' ' OD1' ' A' ' 99' ' ' ASN . . . -116.23 150.54 37.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 0.808 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.843 ' N ' HD22 ' A' ' 99' ' ' ASN . 24.3 t -87.82 32.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.488 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 149.24 -130.96 3.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.6 t-20 -91.59 6.59 45.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.367 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.843 HD22 ' N ' ' A' ' 96' ' ' SER . 4.5 p30 -63.51 -163.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.673 ' CD1' HG13 ' A' ' 90' ' ' ILE . 41.0 m-85 -139.04 166.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.603 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 35.0 m -161.22 131.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.2 OUTLIER -54.8 124.72 17.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 69.6 m -56.1 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.726 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.458 ' N ' ' HB3' ' A' ' 12' ' ' SER . 1.0 OUTLIER -137.84 -4.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.693 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 90.1 m-85 -134.68 92.59 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.494 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 9.6 m -98.87 104.54 16.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.9 m -81.46 62.92 5.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.7 -54.27 1.66 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 26.3 p -132.05 51.28 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 0.811 . . . . 0.0 110.044 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.72 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.58 -175.25 4.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.726 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.97 59.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.267 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.73 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -124.74 100.24 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.953 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.458 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 65.0 p -64.63 -179.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -52.42 -17.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.84 -30.65 32.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.076 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.703 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.92 -40.67 18.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 71.4 t -53.26 -52.13 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.492 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 8.6 t -36.59 -54.08 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.15 -52.77 14.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.549 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.45 -42.23 91.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 10.4 mt-30 -60.35 -57.5 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.06 -36.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' CB ' HG23 ' A' ' 67' ' ' VAL . . . -70.13 -56.31 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.566 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.04 -42.67 87.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.1 t80 -64.92 -63.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.98 -60.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.376 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.567 HD23 ' C ' ' A' ' 32' ' ' THR . 2.2 tp -58.1 -34.7 70.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 61.6 t60 -66.55 -51.98 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.588 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' OE2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -57.11 -26.95 61.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -17.0 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.69 23.37 72.84 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.2 mm-40 -97.91 175.91 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 0.798 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.567 ' C ' HD23 ' A' ' 26' ' ' LEU . 67.4 p -127.33 177.72 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.871 ' CG2' ' CE2' ' A' ' 68' ' ' TYR . 2.7 m -137.58 150.49 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.374 1.046 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 61.71 -156.6 35.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.063 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -97.27 32.2 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -127.42 -165.97 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.391 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.5 p -120.25 42.8 2.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.17 . . . . 0.0 110.02 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -95.1 150.6 37.92 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.566 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -75.01 -169.07 7.02 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.047 -0.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 21.5 p80 -177.94 168.92 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.519 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -48.1 169.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.715 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 26.3 t80 -154.43 13.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.3 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.777 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -51.9 168.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.777 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.37 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.516 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.17 -20.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.98 56.53 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.687 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 82.8 m-85 -101.41 132.63 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.26 70.13 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.687 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 17.3 m-30 -75.77 107.34 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.5 p -74.85 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.549 ' H ' ' C ' ' A' ' 50' ' ' PHE . 5.0 m -127.2 155.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.644 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.3 t -88.79 143.59 26.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.829 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -64.07 171.88 2.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.829 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 157.79 99.4 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.023 -0.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-30 -99.39 119.32 37.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.925 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -101.25 130.54 47.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -92.76 142.69 27.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.836 ' O ' ' N ' ' A' ' 78' ' ' VAL . 27.2 t-105 -161.39 141.14 7.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.173 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.11 148.97 35.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.584 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 3.3 tt -118.43 116.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 68' ' ' TYR . 47.0 mt -81.88 122.03 27.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.2 p -57.62 -14.86 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.15 -18.48 46.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.04 12.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.1 m-20 -108.16 -173.38 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.484 HG23 ' CB ' ' A' ' 22' ' ' ALA . 5.1 t -108.22 102.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.173 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -43.09 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.416 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 55.5 p -127.67 37.93 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -112.66 -65.19 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.91 17.29 6.93 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.737 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.4 m -141.68 45.86 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.737 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.792 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.863 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 23.87 93.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.845 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.71 -101.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.669 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.8 m-20 -71.01 129.37 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.863 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -151.33 133.4 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.836 ' N ' ' O ' ' A' ' 59' ' ' TRP . 4.2 m -107.32 122.95 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.958 ' O ' ' N ' ' A' ' 87' ' ' ALA . 75.5 t -96.09 136.17 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.925 ' O ' ' N ' ' A' ' 57' ' ' TYR . 8.6 p90 -147.17 -164.72 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.741 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.01 -171.71 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.69 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 22.8 tt0 -88.02 18.18 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.074 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -109.62 -23.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.33 23.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.074 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.1 mt-30 -106.5 133.55 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.586 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.47 132.5 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.19 -38.46 63.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 168.94 -144.45 8.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.808 ' O ' ' N ' ' A' ' 103' ' ' CYS . 84.5 t -143.28 91.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.579 HD11 ' CE2' ' A' ' 42' ' ' TYR . 0.8 OUTLIER -86.36 165.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.845 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -159.19 146.24 17.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.632 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 12.7 m170 -65.09 -14.38 60.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -73.69 167.82 20.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 38.15 39.58 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.55 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . . . -117.78 174.52 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 0.8 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.489 ' N ' ' ND2' ' A' ' 99' ' ' ASN . 10.8 t -105.17 45.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.687 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 129.34 -122.43 3.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 3.0 t-20 -93.98 3.89 54.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.687 HD22 ' N ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -63.24 -175.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.632 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 42.0 m-85 -129.76 163.98 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.06 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.628 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 28.6 m -162.57 133.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -52.55 125.41 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.238 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.2 m -56.12 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.51 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -131.45 -7.12 3.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.706 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 78.4 m-85 -133.99 77.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.19 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -87.76 104.56 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.0 m -81.5 63.82 5.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.579 1.175 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.27 -54.42 0.62 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 10.9 p -129.96 52.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.736 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.14 -174.97 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -129.21 96.17 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 110.954 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 43.5 p -61.43 179.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -17.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.032 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.8 t -82.02 -30.07 31.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.51 -40.31 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.652 ' CG1' ' CG2' ' A' ' 78' ' ' VAL . 96.4 t -56.45 -48.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.536 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.4 t -37.45 -52.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.65 -53.7 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -57.57 -42.96 84.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.541 ' HG2' HG23 ' A' ' 78' ' ' VAL . 11.1 mt-30 -57.61 -55.79 30.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.55 -34.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -72.35 -55.88 6.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.54 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.29 -43.08 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.605 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.0 t80 -65.12 -63.54 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 8.6 tptp -39.16 -62.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD23 ' C ' ' A' ' 32' ' ' THR . 2.5 tp -56.56 -37.2 70.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.6 t60 -63.55 -49.6 72.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.58 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -59.7 -26.58 65.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -17.06 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.29 23.72 73.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 mm-40 -99.99 174.55 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.348 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.584 ' C ' HD23 ' A' ' 26' ' ' LEU . 73.4 p -123.97 -178.42 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.734 HG23 ' CH2' ' A' ' 59' ' ' TRP . 2.2 m -140.68 133.55 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.433 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 77.1 -152.55 40.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -96.42 4.16 52.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.939 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.615 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -98.89 -163.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 p -124.77 45.92 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.949 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.615 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -97.71 148.33 34.29 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.54 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -75.0 -171.59 9.61 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.046 -2.481 . . . . 0.0 111.013 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.636 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 -177.24 156.54 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.632 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -40.97 155.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.7 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 1.3 t80 -149.67 -37.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.825 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 57.55 -98.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.825 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.3 p-10 152.24 175.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.34 -48.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.641 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.8 mm-40 -44.99 -18.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.497 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.58 55.59 0.45 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.48 1.113 . . . . 0.0 111.096 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.794 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 90.5 m-85 -99.27 135.17 41.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 63.9 2.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.794 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.6 m-30 -66.49 98.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -72.02 27.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.976 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.599 ' H ' ' C ' ' A' ' 50' ' ' PHE . 13.5 m -124.84 157.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.615 1.197 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.701 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.0 m -88.2 143.83 26.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.801 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -66.4 171.09 4.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.801 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.99 157.12 99.81 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.6 m-85 -98.88 115.99 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.919 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.4 m-30 -98.71 131.82 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.7 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 3.2 pt-20 -95.51 138.51 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.829 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 24.9 t-105 -154.66 145.42 16.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.2 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 149.02 36.09 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.547 HG13 ' CB ' ' A' ' 19' ' ' ALA . 5.1 tt -116.69 121.83 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 68' ' ' TYR . 56.9 mt -89.41 122.69 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -6.83 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.69 -17.03 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.23 36.88 10.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 2.1 m-20 -110.66 -169.51 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.44 HG23 ' CB ' ' A' ' 22' ' ' ALA . 8.6 t -114.18 105.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.2 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.8 t80 -46.45 102.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.9 p -116.04 44.06 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 1.056 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -155.15 129.41 2.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.461 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -50.7 -8.07 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.547 ' H ' ' C ' ' A' ' 70' ' ' GLY . 87.7 p -114.0 82.32 6.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.806 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.753 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.681 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 145.6 -108.5 0.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -131.48 -44.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.671 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 19.8 m-20 -62.47 132.71 53.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.717 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 12.1 mmt-85 -150.28 145.25 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -115.75 136.33 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.949 ' O ' ' N ' ' A' ' 87' ' ' ALA . 71.4 t -111.73 136.1 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.919 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.9 p90 -145.91 -162.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.773 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -136.1 -171.77 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.671 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 14.9 tt0 -87.68 17.17 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.085 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -108.67 -22.82 12.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.706 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.92 24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.085 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.2 mt-30 -106.95 133.6 51.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.569 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.08 131.78 34.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.949 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.46 -42.05 65.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 172.03 -143.17 7.31 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.776 ' O ' ' N ' ' A' ' 103' ' ' CYS . 88.0 t -144.64 91.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.609 ' CG2' ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -87.07 166.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.611 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -163.05 153.45 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.645 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.7 m170 -76.31 13.37 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -48.12 88.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.355 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.39 41.51 0.1 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.638 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -59.52 -11.62 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.5 t 98.08 46.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.051 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.421 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 122.67 -130.04 7.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.85 4.76 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.571 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -67.56 162.47 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.645 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 19.0 m-85 -114.99 168.37 9.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.631 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.1 m -162.72 133.56 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -58.51 124.83 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.7 m -55.51 -164.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.103 . . . . 0.0 108.298 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.449 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.491 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.416 ' N ' ' HB2' ' A' ' 12' ' ' SER . 11.1 m-20 -129.38 -7.69 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.708 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 84.3 m-85 -133.93 88.04 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.47 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 6.1 m -95.86 105.74 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 30.1 m -82.36 61.8 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.73 -55.71 1.7 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 23.0 p -130.8 52.16 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.747 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.699 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.94 -174.5 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.07 61.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.745 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.05 98.19 5.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 13' ' ' SER . 1.2 t -63.59 179.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.502 ' N ' ' OG ' ' A' ' 12' ' ' SER . 1.6 p -50.84 -17.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -81.29 -30.46 33.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.724 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.01 -41.88 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.524 HG11 ' CG1' ' A' ' 78' ' ' VAL . 49.2 t -49.37 -49.68 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -40.66 -51.2 3.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.578 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.1 m -46.66 -58.48 3.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.593 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -55.81 -43.84 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.572 ' OE1' ' HB2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -58.38 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.9 -35.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -74.76 -53.45 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.383 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.588 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -57.3 -41.66 93.13 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.667 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 9.9 t80 -66.45 -67.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 56.0 tptt -43.07 -51.65 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.718 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 11.8 tp -63.83 -35.17 79.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.859 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 48.8 t60 -65.84 -45.64 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.572 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.601 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.41 -23.8 66.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 13.4 m-20 -83.42 -23.09 32.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.22 22.46 68.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.692 ' CB ' ' CD1' ' A' ' 26' ' ' LEU . 20.5 mm-40 -100.2 -179.24 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 70.3 p -135.29 -179.65 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.805 ' CG2' ' CE2' ' A' ' 68' ' ' TYR . 4.4 m -136.38 137.05 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 70' ' ' GLY . . . 70.58 -152.55 50.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.573 1.17 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -97.95 23.67 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.622 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -114.72 -166.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . 7.1 p -122.71 40.69 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -94.64 145.81 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.588 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -75.09 -172.09 10.32 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.033 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.495 ' CE1' ' OE2' ' A' ' 58' ' ' GLU . 32.4 p80 178.98 167.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 17.1 tptm -45.47 161.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.707 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 29.5 t80 -146.13 11.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.704 ' C ' ' O ' ' A' ' 42' ' ' TYR . 6.0 m-80 -7.3 86.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.769 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -53.14 171.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.769 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.73 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -44.23 -20.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.57 56.08 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.641 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 83.9 m-85 -100.8 132.55 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.59 70.89 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.639 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 18.3 m-30 -76.84 106.5 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.6 p -74.6 27.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.958 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.556 ' H ' ' C ' ' A' ' 50' ' ' PHE . 6.5 m -126.58 157.29 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.698 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 7.5 t -89.34 146.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.822 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -69.49 171.63 6.64 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.822 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.02 157.01 99.86 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.976 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.705 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.3 m-85 -98.87 126.65 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.859 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.2 m-30 -106.89 124.67 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 13.8 pt-20 -91.93 137.94 31.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.845 ' O ' ' N ' ' A' ' 78' ' ' VAL . 26.3 t-105 -155.77 144.71 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.032 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.024 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 145.8 31.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.593 HG13 ' CB ' ' A' ' 19' ' ' ALA . 2.4 tt -116.41 113.87 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.4 mt -82.6 119.39 24.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -15.17 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -80.44 -19.38 46.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.1 33.93 11.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.45 -173.71 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.436 HG23 ' CB ' ' A' ' 22' ' ' ALA . 16.4 t -112.02 104.71 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.024 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.5 t80 -42.54 95.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.473 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.5 p -97.54 3.12 50.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.655 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -96.32 -158.81 31.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.761 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -145.5 28.54 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.66 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 60.2 p -147.01 50.98 1.04 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.66 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.05 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.932 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 8.08 99.64 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.79 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 157.24 -70.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.228 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.687 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 56.8 m-20 -114.58 131.8 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.932 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -151.42 140.82 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.845 ' N ' ' O ' ' A' ' 59' ' ' TRP . 3.1 m -113.39 123.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.913 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.7 t -96.08 134.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.849 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.4 p90 -147.25 -159.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.758 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -139.41 -172.41 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.684 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 6.6 tt0 -86.06 10.77 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.075 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.02 -23.62 14.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.703 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.92 23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.075 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.8 mt-30 -104.99 133.83 49.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -85.16 131.74 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.913 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.32 -43.33 57.14 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.404 ' O ' HG21 ' A' ' 89' ' ' VAL . . . 175.28 -138.74 4.41 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.797 ' O ' ' N ' ' A' ' 103' ' ' CYS . 92.5 t -148.92 89.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.617 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 1.1 pt -84.83 165.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.79 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 1.1 t -163.27 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.638 ' NE2' ' CE1' ' A' ' 100' ' ' PHE . 14.0 m-70 -92.11 -25.53 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.652 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -17.42 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.632 ' HA3' HG22 ' A' ' 101' ' ' VAL . . . -120.04 31.23 5.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.545 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . . . -132.97 133.32 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.491 ' N ' HD22 ' A' ' 99' ' ' ASN . 29.5 t -86.99 30.39 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.36 -132.66 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.0 t-20 -94.66 -4.41 47.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.545 ' ND2' ' CB ' ' A' ' 95' ' ' ALA . 2.9 p30 -64.82 173.02 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.647 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 27.2 m-85 -124.51 166.81 15.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.647 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 21.0 m -161.78 135.15 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -54.11 126.67 23.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.27 -163.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.674 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.8 m-20 -39.58 -29.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.75 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 76.6 m-85 -139.85 112.46 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.568 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.2 m -121.49 106.19 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.8 m -80.29 68.03 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.63 -48.78 3.94 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.6 p -158.48 49.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.776 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.97 -166.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.674 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.8 t -171.65 77.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.898 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.1 m-85 -91.09 51.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.794 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -28.51 152.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.003 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.8 p -39.01 -23.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.8 t -80.36 -26.37 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.948 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -81.79 -22.17 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.75 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 13.1 t -74.18 -71.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.51 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 23.1 t -40.82 -53.55 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.87 -49.32 20.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.577 ' CB ' HG13 ' A' ' 78' ' ' VAL . . . -61.54 -44.5 96.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.633 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 10.3 mt-30 -61.87 -57.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.03 -41.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -71.58 -56.74 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.616 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.39 -43.05 65.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.637 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 2.8 t80 -67.06 -69.13 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -42.92 -54.29 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.792 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 58.3 tp -61.4 -33.25 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.852 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 38.5 t60 -68.88 -50.76 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -56.73 -25.41 54.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -85.5 -19.72 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.19 23.72 77.0 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.585 ' CB ' HD13 ' A' ' 26' ' ' LEU . 44.7 mm-40 -98.42 175.32 6.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.466 0.744 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 80.3 p -128.76 179.37 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.886 ' HB ' ' HA ' ' A' ' 69' ' ' SER . 5.0 m -136.11 128.76 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.531 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.14 -145.7 29.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.1 p -96.25 -14.67 22.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 110.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.575 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 3.1 m-20 -76.36 -165.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 5.3 p -125.9 42.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.59 144.59 28.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.616 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.5 Cg_endo -74.93 -173.59 12.55 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.003 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.487 ' NE2' ' CD ' ' A' ' 58' ' ' GLU . 31.7 p80 179.12 154.72 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.467 1.104 . . . . 0.0 109.539 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' HIS . 7.7 ttpt -40.53 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.749 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -154.92 -28.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.82 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 49.35 -98.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.82 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.2 p-10 153.86 173.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.99 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.1 mp0 -45.61 -18.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.66 55.75 0.45 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.775 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 87.0 m-85 -99.67 132.51 44.96 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.25 61.76 3.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.775 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.9 m-30 -65.15 100.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.22 22.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 50' ' ' PHE . 16.1 m -122.74 161.91 23.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 1.025 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 64.8 m -83.6 175.79 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.796 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -102.69 172.27 4.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.796 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -75.0 158.88 98.73 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.972 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.63 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -96.87 123.17 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.861 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.5 m-30 -103.33 136.75 42.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.589 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -101.96 140.63 35.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.056 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 46.4 t-105 -155.58 148.41 18.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.056 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.11 150.75 38.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.565 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 10.1 tt -114.58 131.37 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.728 HD22 ' CE1' ' A' ' 68' ' ' TYR . 46.1 mt -96.52 122.53 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.8 t -68.29 7.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -109.64 -8.66 14.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 39.67 23.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.517 ' C ' HD11 ' A' ' 62' ' ' LEU . 8.7 m-20 -120.68 -162.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.452 HG21 ' HB1' ' A' ' 22' ' ' ALA . 15.4 t -119.31 122.19 68.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.73 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -76.03 113.91 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.886 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 51.9 p -135.0 57.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 72' ' ' SER . . . -139.07 -5.15 1.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.531 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 78.27 -19.87 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 70' ' ' GLY . 3.8 m -114.42 78.7 4.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.823 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 18.5 Cg_endo -74.95 -54.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.613 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.69 -107.02 0.44 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.58 1.175 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.946 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . -128.2 -42.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 0.719 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.685 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.1 133.94 56.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.823 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 mmt-85 -152.0 142.25 22.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.85 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -109.66 126.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.029 ' O ' ' N ' ' A' ' 87' ' ' ALA . 60.3 t -103.59 137.44 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.861 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -146.33 -158.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.025 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.15 -168.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.611 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 11.0 tt0 -89.64 15.25 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.067 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -105.93 -22.64 12.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.38 21.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.067 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.0 mt-30 -108.62 132.41 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.684 ' CD2' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -89.31 136.32 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.365 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.029 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -68.22 -44.37 75.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.25 -132.93 2.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.728 ' O ' ' N ' ' A' ' 103' ' ' CYS . 44.7 t -149.97 93.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.769 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -86.05 171.06 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.685 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -165.21 151.14 9.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.946 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 8.2 m170 -79.43 12.93 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.4 m -48.23 84.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 33.72 35.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.718 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -51.45 -36.81 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.733 ' N ' HD22 ' A' ' 99' ' ' ASN . 13.3 t 136.84 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 117.2 -117.95 3.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.6 t-20 -95.25 -9.67 32.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.733 HD22 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.03 150.84 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.769 ' CD1' HG13 ' A' ' 90' ' ' ILE . 21.3 m-85 -105.36 171.62 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.636 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.0 m -163.36 132.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -59.11 125.75 24.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 85.4 m -55.89 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 0.0 108.26 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.392 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.678 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -28.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.709 ' CD2' ' CG2' ' A' ' 16' ' ' VAL . 80.9 m-85 -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.569 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.0 m -118.39 102.45 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 25.3 m -78.78 66.22 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 108.335 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 -48.71 3.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.5 p -158.93 48.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.801 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.36 -167.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.678 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.6 t -171.87 76.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.895 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 15.9 m-85 -90.85 48.48 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.824 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -25.31 149.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 15.0 p -38.48 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.0 t -82.03 -24.73 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.895 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -81.86 -26.79 33.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.709 ' CG2' ' CD2' ' A' ' 4' ' ' TYR . 96.6 t -77.42 -69.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' VAL . 45.7 t -36.57 -51.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -48.7 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB3' HG13 ' A' ' 61' ' ' ILE . . . -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 14.7 mt-30 -59.43 -56.69 18.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.54 -39.92 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB3' HG23 ' A' ' 67' ' ' VAL . . . -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.559 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -54.62 -42.6 77.56 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.664 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.2 t80 -65.53 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.5 tptm -39.69 -59.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.604 HD23 ' C ' ' A' ' 32' ' ' THR . 2.7 tp -59.67 -33.74 71.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 51.6 t60 -67.44 -50.72 58.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.601 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.81 -26.1 63.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -18.91 25.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.11 66.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HB3' HD13 ' A' ' 26' ' ' LEU . 7.2 mm-40 -97.47 175.63 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.237 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.604 ' C ' HD23 ' A' ' 26' ' ' LEU . 64.4 p -127.04 177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.727 HG22 ' CH2' ' A' ' 59' ' ' TRP . 2.5 m -139.59 134.74 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 78.87 -151.07 35.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -96.15 -6.51 38.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 0.763 . . . . 0.0 109.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.614 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -89.99 -163.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.2 p -124.16 46.49 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -95.19 147.53 33.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.559 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -74.98 -168.21 6.29 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.016 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.62 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.2 p80 179.93 163.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 15.8 ttpp -50.61 152.2 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.787 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -147.09 -32.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.848 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.5 m-80 51.96 -96.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.848 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.8 p-10 153.03 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.361 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.44 -47.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.633 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 49.7 mt-10 -45.87 -19.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.09 55.33 0.41 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.787 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 95.7 m-85 -98.63 136.23 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.97 67.87 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.744 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.0 m-30 -73.52 97.84 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -73.14 29.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 50' ' ' PHE . 16.5 m -127.14 159.53 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.651 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 15.7 t -87.54 144.09 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.949 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.831 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -68.85 172.0 5.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.831 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.05 159.17 98.35 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.946 0.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.3 m-85 -100.8 116.47 32.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.942 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.8 m-30 -98.6 137.45 37.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.62 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.9 pp20? -102.7 135.71 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.019 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 33.1 t-105 -149.02 148.07 25.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 107.96 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.019 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.538 HD12 ' CG ' ' A' ' 11' ' ' TYR . 15.6 tt -120.09 129.97 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.687 HD21 ' CE2' ' A' ' 68' ' ' TYR . 73.5 mt -95.59 123.22 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.5 m -64.7 -0.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -103.03 -8.37 20.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.79 40.62 30.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.457 ' C ' HD13 ' A' ' 62' ' ' LEU . 5.4 m-20 -121.41 -166.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 22' ' ' ALA . 24.0 t -108.48 123.29 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.751 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -74.06 137.29 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.467 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.9 p -156.5 63.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.506 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . -138.49 -58.66 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.666 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 131.2 -20.15 4.77 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 38.3 t -120.02 61.49 7.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.688 ' HA ' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.99 48.52 2.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.773 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.98 -110.77 3.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.659 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . . . -140.91 -30.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.643 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -62.17 126.83 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.643 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.1 mmt-85 -148.6 145.2 27.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.797 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -104.82 138.1 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.9 t -112.42 137.73 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.942 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.7 p90 -147.96 -163.93 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.696 ' ND2' ' HB2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -134.53 -172.68 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.664 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 8.9 tp10 -87.27 14.74 7.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -105.86 -23.96 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.93 24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.696 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 50.1 mt-30 -105.95 134.65 48.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.678 HD13 ' CA ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -87.71 130.6 34.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.8 -35.25 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.678 ' CA ' HD13 ' A' ' 86' ' ' LEU . . . 159.22 -139.26 6.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.75 ' O ' ' N ' ' A' ' 103' ' ' CYS . 37.8 t -147.73 98.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.592 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -84.2 162.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.766 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -165.86 162.74 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.659 ' CB ' ' HB3' ' A' ' 75' ' ' ALA . 12.2 m170 -92.63 -5.63 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.83 -20.71 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.454 ' HA3' HG22 ' A' ' 101' ' ' VAL . . . -132.2 38.07 1.95 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.609 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . . . -127.65 -45.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.4 t 74.73 54.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.498 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.4 -134.98 5.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 98' ' ' ASN . 0.3 OUTLIER -92.79 -11.24 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 0.809 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.691 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -63.61 160.44 16.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.654 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 19.4 m-85 -121.87 165.3 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.654 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 30.2 m -163.78 134.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -57.21 121.66 10.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.5 m -54.32 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.471 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' HB2' ' OG ' ' A' ' 12' ' ' SER . 7.3 m-20 -65.16 -19.16 65.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.232 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.626 ' CD1' HG22 ' A' ' 89' ' ' VAL . 87.8 m-85 -122.85 145.54 48.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.719 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -153.06 105.63 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.445 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.197 ' CB ' ' SG ' ' A' ' 103' ' ' CYS . 21.2 m -81.61 61.93 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 -55.37 1.03 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.475 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 23.4 p -128.2 53.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 0.765 . . . . 0.0 109.947 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.688 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -140.24 -175.13 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.24 66.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 108.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.708 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.91 100.03 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -61.98 -177.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -55.14 -15.81 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.6 t -82.48 -31.26 29.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.686 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.67 -37.79 24.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 67.9 t -58.29 -54.03 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.498 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -36.59 -53.71 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.35 -51.5 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.614 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.59 -42.26 98.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 10.0 mt-30 -58.48 -57.46 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.42 -35.6 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' CB ' HG23 ' A' ' 67' ' ' VAL . . . -71.2 -56.69 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.617 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.91 -43.29 87.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.687 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t80 -64.03 -62.88 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 32' ' ' THR . 3.4 tp -57.72 -34.02 69.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.9 t60 -66.62 -51.97 50.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' OE2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -55.68 -27.79 52.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.62 -16.15 33.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.78 23.43 74.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.92 175.31 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.565 ' C ' HD23 ' A' ' 26' ' ' LEU . 72.4 p -129.61 173.14 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.646 1.216 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.679 ' O ' ' HA3' ' A' ' 70' ' ' GLY . 2.0 m -128.6 132.6 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.8 -152.86 39.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 m -94.01 -12.45 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.617 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -80.24 -162.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 90.6 p -126.13 47.94 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.947 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.617 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -100.55 143.66 26.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.617 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -74.96 -169.97 7.82 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.007 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.583 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 35.1 p80 -177.88 162.01 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.54 151.56 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.746 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.7 t80 -143.89 -38.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.84 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 1.4 m-80 59.41 -100.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.84 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.5 p-10 153.04 178.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 168.26 -46.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 111.068 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.602 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 9.3 mm-40 -47.29 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.87 53.63 0.48 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.784 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 91.8 m-85 -97.29 135.17 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 68.5 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.784 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -74.63 94.23 2.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.1 p -69.98 31.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.613 ' H ' ' C ' ' A' ' 50' ' ' PHE . 12.6 m -129.28 159.48 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.66 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 24.6 m -87.64 146.41 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.805 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -70.29 171.76 7.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.805 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.95 158.86 98.73 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.996 0.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.649 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -100.16 116.94 33.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.898 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.7 m-30 -98.98 134.87 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.629 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.2 pt-20 -103.22 129.06 50.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.109 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 13.3 t-105 -142.79 151.78 57.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.109 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.614 HG13 ' CB ' ' A' ' 19' ' ' ALA . 2.6 tt -119.88 123.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 68' ' ' TYR . 96.0 mt -90.73 124.57 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -16.68 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -86.76 -19.93 28.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.05 31.99 18.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.415 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.2 m-20 -107.17 -173.29 2.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.519 HG23 ' CB ' ' A' ' 22' ' ' ALA . 51.3 t -102.1 109.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.679 ' HA ' HD13 ' A' ' 62' ' ' LEU . 35.6 t80 -47.51 172.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.686 ' O ' ' N ' ' A' ' 34' ' ' GLY . 69.3 p -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.679 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . 131.06 149.33 6.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.521 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 110.56 -103.85 1.7 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.612 ' N ' ' HH ' ' A' ' 68' ' ' TYR . 52.3 p -112.6 81.34 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.787 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -74.99 51.79 2.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.67 -91.43 0.17 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.74 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -159.76 -38.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.729 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 9.8 m-20 -59.8 132.6 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.729 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 3.3 mmt-85 -152.17 147.0 25.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.758 ' N ' ' O ' ' A' ' 59' ' ' TRP . 3.4 m -115.89 134.94 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.887 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.0 t -109.61 138.83 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.898 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -148.76 -159.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.723 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -138.11 -171.91 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.687 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 7.8 tt0 -86.97 11.21 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.087 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.68 -24.09 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.715 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.03 23.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.087 HE21 ' ND2' ' A' ' 83' ' ' ASN . 34.3 mt-30 -104.96 134.68 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.579 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -84.69 132.77 34.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.21 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.887 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.88 -43.39 54.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.26 -130.95 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.8 ' O ' ' N ' ' A' ' 103' ' ' CYS . 57.3 t -153.66 94.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.547 HD11 ' CE2' ' A' ' 42' ' ' TYR . 1.8 pt -89.89 167.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.74 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.3 150.98 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.425 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.634 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.0 m-70 -75.69 13.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.604 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -48.57 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.16 42.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.655 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.59 -11.58 3.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 0.82 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.7 t 98.68 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.445 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 121.81 -131.82 8.66 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.6 t-20 -95.1 11.72 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.665 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -75.07 164.29 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.665 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 26.8 m-85 -116.92 166.97 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.665 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.7 m -163.98 138.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -50.15 129.31 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.197 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 12.3 m -53.63 -24.29 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 5' ' ' THR . 10.0 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.596 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' CYS . 70.5 m-20 -39.35 -29.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.755 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 75.3 m-85 -138.98 112.85 8.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.716 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -121.2 109.29 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 0.0 110.42 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.6 m -82.63 63.04 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.63 -45.17 3.32 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -160.13 48.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.766 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.81 -165.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.596 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 46.7 t -173.06 78.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.897 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.9 51.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -28.13 152.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 p -38.92 -23.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -80.9 -26.17 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.897 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -81.8 -23.4 36.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.755 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 22.3 t -72.61 -70.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.456 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 5.2 t -39.55 -53.13 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.91 -49.22 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' HG12 ' A' ' 78' ' ' VAL . . . -60.53 -44.19 96.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.685 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 13.7 mt-30 -58.92 -56.5 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.46 -39.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . -72.81 -55.61 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.533 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -55.03 -41.6 78.15 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.711 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.6 t80 -69.96 -66.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.568 0.805 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.4 tptp -43.48 -55.67 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.791 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 12.7 tp -60.5 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.858 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 40.9 t60 -66.65 -47.33 72.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.606 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.77 -24.54 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-20 -85.09 -23.81 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.74 23.11 70.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.701 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 22.9 mm-40 -97.74 176.16 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.582 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 78.5 p -130.05 174.68 9.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.791 ' CG1' ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -137.07 133.61 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.48 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 78.89 -150.19 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.5 p -96.77 -5.16 39.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 0.736 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.604 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -87.76 -164.33 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . 22.1 p -124.05 43.43 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.604 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -94.27 145.64 30.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.625 1.203 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -172.95 11.48 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.975 0.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.2 p80 176.76 162.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.657 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 2.0 tttp -43.38 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.698 ' O ' ' C ' ' A' ' 43' ' ' ASN . 32.7 t80 -151.93 13.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.01 87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -48.38 160.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -171.57 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.812 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 24.2 mt-10 -44.44 -20.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.175 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.88 54.85 0.39 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.711 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 87.4 m-85 -98.53 135.67 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.24 68.43 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.711 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.5 m-30 -75.96 106.72 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -76.4 25.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 50' ' ' PHE . 15.4 m -125.01 156.65 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.74 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.6 t -88.03 148.24 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.831 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -73.06 172.84 7.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.831 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.99 158.12 99.2 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.99 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.661 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.2 m-85 -98.8 130.39 45.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.915 ' N ' ' O ' ' A' ' 80' ' ' PHE . 11.3 m-30 -110.29 121.16 44.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.622 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.23 132.1 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.128 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 31.0 t-105 -147.89 150.18 35.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.128 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 148.83 35.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.506 HG13 ' HB1' ' A' ' 19' ' ' ALA . 11.9 tt -113.28 120.3 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 64' ' ' SER . 62.0 mt -85.97 127.85 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -67.6 2.94 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -107.61 -11.17 15.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.18 41.41 17.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -126.56 -174.11 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.544 ' CG2' ' HB3' ' A' ' 22' ' ' ALA . 61.9 t -96.3 122.76 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.675 ' HH ' ' N ' ' A' ' 72' ' ' SER . 63.1 t80 -69.63 167.59 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.632 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 53.8 p -164.4 71.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.48 ' CA ' ' HA3' ' A' ' 34' ' ' GLY . . . -174.61 -154.91 11.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.672 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . -120.53 -23.21 2.9 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.675 ' N ' ' HH ' ' A' ' 68' ' ' TYR . 8.4 p -112.63 70.01 1.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.847 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.1 Cg_endo -75.0 52.37 3.04 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.616 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . 62.17 2.48 4.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.748 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . 93.39 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.689 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.03 135.57 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.607 1.192 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.745 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 2.9 mmt-85 -150.27 138.34 20.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 1.006 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -105.12 126.13 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.114 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -102.87 124.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.915 ' O ' ' N ' ' A' ' 57' ' ' TYR . 9.2 p90 -137.97 -161.45 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.75 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -134.54 -169.79 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.711 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 14.7 tt0 -88.19 13.29 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.75 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -104.13 -24.44 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.96 22.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.664 HE21 ' ND2' ' A' ' 83' ' ' ASN . 49.1 mt-30 -106.9 131.75 53.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.916 HD23 ' H ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -89.52 135.44 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.114 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.5 -43.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.916 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 175.57 -129.51 1.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.746 ' O ' ' N ' ' A' ' 103' ' ' CYS . 54.7 t -157.17 92.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.832 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -88.27 176.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.595 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.65 146.29 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.748 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 9.8 m-70 -72.46 10.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.657 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.503 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -49.17 86.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.53 37.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.698 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -50.94 -36.08 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.701 ' N ' HD22 ' A' ' 99' ' ' ASN . 13.0 t 137.17 40.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.72 -118.68 4.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.5 t-20 -95.03 -8.16 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.701 HD22 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.43 168.87 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.832 ' CD1' HG13 ' A' ' 90' ' ' ILE . 32.6 m-85 -120.64 172.23 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.062 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.668 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 23.4 m -164.59 134.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.4 mt-10 -50.03 131.69 23.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 13.5 m -53.83 -28.95 38.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 5' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.495 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.487 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.5 OUTLIER -129.38 -7.73 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.741 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 81.7 m-85 -133.92 84.07 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.3 m -93.22 104.43 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -81.28 63.11 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.384 1.053 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.36 -53.59 0.86 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.451 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 22.5 p -131.53 51.32 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.739 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -141.37 -175.62 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.64 61.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.23 97.01 4.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.487 ' HB2' ' N ' ' A' ' 3' ' ' ASP . 3.2 t -64.69 179.54 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.477 ' N ' ' OG ' ' A' ' 12' ' ' SER . 5.3 p -51.09 -17.34 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.5 t -81.96 -29.87 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.68 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.48 -42.92 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.607 ' CG1' ' HG ' ' A' ' 86' ' ' LEU . 72.7 t -52.13 -51.4 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 12.2 t -35.35 -55.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.03 -50.62 35.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -62.58 -41.65 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 8.9 mt-30 -60.06 -55.96 27.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -37.33 -34.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB1' ' CG2' ' A' ' 67' ' ' VAL . . . -72.25 -55.78 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.626 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.24 -42.13 87.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.638 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.5 t80 -67.48 -61.8 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 0.716 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.618 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -38.83 -60.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.59 HD23 ' C ' ' A' ' 32' ' ' THR . 2.2 tp -59.82 -32.86 71.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.823 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 49.9 t60 -67.61 -53.08 31.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 109.576 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.618 ' OE2' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -55.62 -27.18 48.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.15 -17.24 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.97 73.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.33 175.57 6.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.59 ' C ' HD23 ' A' ' 26' ' ' LEU . 24.3 p -129.43 171.89 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.723 HG21 ' CA ' ' A' ' 70' ' ' GLY . 2.3 m -125.6 134.3 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.66 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 75.65 -154.9 46.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 -14.97 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.692 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.3 m-20 -78.79 -158.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 30.8 p -128.88 52.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.692 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -104.56 142.88 25.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.626 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.6 Cg_endo -74.92 -167.0 5.27 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.037 -0.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.6 p80 -179.34 163.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.6 155.24 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.719 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.3 t80 -148.85 -34.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.84 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 54.09 -96.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.84 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.0 p-10 153.39 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.802 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.54 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.649 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 mt-10 -46.19 -18.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.19 54.99 0.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.769 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 88.2 m-85 -101.5 134.64 44.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.26 66.52 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -70.1 94.97 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.13 29.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.629 HG22 ' OD1' ' A' ' 81' ' ' ASN . 20.8 m -121.66 160.27 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.663 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.9 t -89.6 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.778 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -64.71 170.22 4.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.075 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.778 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.95 159.04 98.58 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.975 -2.511 . . . . 0.0 111.018 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.557 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 19.7 m-85 -99.95 117.14 33.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.918 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -98.73 131.44 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.644 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 11.9 pt-20 -101.64 130.21 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.935 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.5 t-105 -140.71 145.82 41.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.935 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 139.01 23.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.568 HG13 ' HB1' ' A' ' 19' ' ' ALA . 5.8 tt -112.55 113.51 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.6 mt -82.81 124.99 30.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -53.88 -21.4 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -15.77 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.18 34.5 29.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.59 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.49 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 25.1 t -102.38 103.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.819 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 36.8 t80 -42.32 144.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 60.2 p -98.22 27.23 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.723 ' CA ' HG21 ' A' ' 33' ' ' VAL . . . 67.74 158.38 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.504 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 135.11 -127.94 4.56 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -117.7 73.44 8.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.819 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.98 5.09 4.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.705 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -32.41 112.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.714 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . 146.23 -56.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.577 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 66.9 m-20 -130.71 121.88 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.593 ' NH1' ' N ' ' A' ' 74' ' ' GLY . 1.8 mmm-85 -148.05 139.21 23.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.767 ' N ' ' O ' ' A' ' 59' ' ' TRP . 2.4 m -110.27 131.2 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.901 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.1 t -105.54 136.88 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -148.21 -165.42 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.854 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.48 -168.63 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.638 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 6.6 tp10 -89.09 27.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.088 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -112.67 -27.18 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.359 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.12 22.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.088 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.0 mt-30 -98.68 -173.52 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 88' ' ' GLY . 1.2 tm? -132.93 128.25 36.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.901 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.97 -36.43 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.191 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.799 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 166.21 -142.13 7.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.791 ' O ' ' N ' ' A' ' 103' ' ' CYS . 83.2 t -147.49 89.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.628 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -83.68 165.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.714 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.63 153.73 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.639 ' NE2' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m-70 -78.83 -6.3 55.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -34.19 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.22 37.56 0.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.69 -15.45 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.62 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.1 t 96.94 41.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.454 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 123.63 -130.75 7.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.2 t-20 -95.19 5.46 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.594 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -70.48 158.95 35.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.628 ' CD1' HG13 ' A' ' 90' ' ' ILE . 17.1 m-85 -112.52 164.85 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.611 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 33.8 m -161.64 134.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.364 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -56.52 124.49 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.5 m -54.91 -167.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.545 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.582 ' N ' ' OG ' ' A' ' 12' ' ' SER . 2.3 m-20 -129.72 -9.03 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.752 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 85.7 m-85 -132.07 72.05 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.467 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.7 m -83.11 103.71 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 16.8 m -80.88 61.26 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.324 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 -55.63 0.79 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 28.5 p -127.32 49.81 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 110.065 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.726 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -141.93 -175.78 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 1.5 t -176.95 61.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.752 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.5 97.85 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.062 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 3.7 m -61.16 179.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.949 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -16.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 t -82.63 -29.93 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.668 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -83.73 -40.12 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.651 ' CG1' HG22 ' A' ' 78' ' ' VAL . 96.9 t -56.56 -48.5 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.574 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -37.72 -53.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -46.95 -52.2 15.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.566 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.61 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 10.9 mt-30 -57.47 -56.2 25.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.47 -35.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -72.49 -56.82 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.616 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.52 -42.21 83.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.594 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 5.5 t80 -67.2 -63.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 22.3 tptm -38.94 -61.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.579 HD23 ' C ' ' A' ' 32' ' ' THR . 3.0 tp -57.44 -36.65 71.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.837 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 62.2 t60 -64.16 -50.54 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.583 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.87 -29.02 64.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -86.34 -15.42 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.73 21.55 78.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.3 mm-40 -97.7 174.37 6.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.382 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.579 ' C ' HD23 ' A' ' 26' ' ' LEU . 42.3 p -128.08 175.25 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.683 HG21 ' CA ' ' A' ' 70' ' ' GLY . 1.9 m -130.49 133.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 77.07 -155.47 44.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.41 -15.74 26.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.776 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -78.43 -155.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.494 ' H ' ' HB3' ' A' ' 36' ' ' ASN . 6.2 p -130.78 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.776 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.11 142.75 25.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.616 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.03 -168.24 6.32 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.005 0.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.597 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 33.4 p80 -177.8 163.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.602 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.27 157.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.693 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.2 t80 -150.24 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.829 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 53.07 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.829 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.4 p-10 153.64 176.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.806 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.39 -46.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.611 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.8 mm-40 -47.35 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.43 54.12 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.771 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 84.9 m-85 -99.45 133.59 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.31 65.72 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -71.15 95.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -72.24 29.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.068 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.621 HG22 ' OD1' ' A' ' 81' ' ' ASN . 18.8 m -121.98 160.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.672 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -91.11 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.755 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -63.42 169.24 4.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.755 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.03 158.54 98.9 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.965 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.4 m-85 -100.01 117.77 34.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.911 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.2 m-30 -99.31 133.03 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.641 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -102.93 130.4 49.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.94 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 23.9 t-105 -141.09 146.39 43.07 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.611 1.194 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.94 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.98 138.17 22.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.566 HG13 ' CB ' ' A' ' 19' ' ' ALA . 2.7 tt -110.67 116.18 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.9 mt -86.72 123.56 32.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.33 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -15.63 58.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 34.69 29.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.36 -178.0 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.496 HG21 ' HB1' ' A' ' 22' ' ' ALA . 29.4 t -103.33 103.0 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.816 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 39.3 t80 -43.09 146.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.687 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 32.9 p -99.12 28.11 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.683 ' CA ' HG21 ' A' ' 33' ' ' VAL . . . 63.66 156.5 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.465 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 139.13 -120.95 1.99 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.426 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -121.9 71.49 30.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.816 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.89 3.66 5.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.703 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -32.09 111.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.703 ' CB ' ' O ' ' A' ' 74' ' ' GLY . . . 146.48 -57.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.203 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.555 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 63.8 m-20 -130.05 121.21 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.631 ' HG3' ' CE1' ' A' ' 100' ' ' PHE . 1.7 mmm-85 -146.8 144.9 29.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.84 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -112.62 138.28 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.0 t -113.92 129.81 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.1 p90 -143.34 -163.67 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.884 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.29 -166.63 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.596 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 12.5 tt0 -90.5 23.22 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.09 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -109.07 -28.09 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.34 21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.09 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.1 mt-30 -96.83 -172.73 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.855 HD23 ' H ' ' A' ' 88' ' ' GLY . 1.5 tm? -133.4 127.31 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.962 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.03 -35.28 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.855 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 165.33 -142.47 7.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.807 ' O ' ' N ' ' A' ' 103' ' ' CYS . 81.0 t -147.39 91.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -84.0 164.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.694 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.94 160.4 24.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.61 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.6 m-70 -85.96 -6.39 59.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -31.89 90.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.4 40.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.723 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.41 -39.69 88.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 0.708 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.76 ' N ' HD22 ' A' ' 99' ' ' ASN . 13.2 t 136.91 42.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.48 -118.58 4.69 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.437 1.085 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.0 OUTLIER -94.73 -7.96 39.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.76 HD22 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.42 149.26 39.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.632 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 16.6 m-85 -105.8 167.5 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.632 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 31.4 m -163.14 134.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -56.1 124.35 17.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.3 m -56.1 -162.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 108.285 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.075 . . . . 0.0 110.349 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.562 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.491 ' N ' ' OG ' ' A' ' 12' ' ' SER . 9.1 m-20 -118.88 -10.13 9.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.796 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 88.3 m-85 -131.98 81.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.524 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.6 m -93.29 104.19 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -80.48 62.57 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.265 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.76 -53.94 0.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 35.2 p -130.13 50.92 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 0.823 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.733 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -141.31 -176.18 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.562 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -176.49 62.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.318 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.796 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.35 97.55 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 0.9 OUTLIER -60.43 176.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.972 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -17.98 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.77 -29.37 32.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.54 -40.42 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.539 ' CG1' ' CG2' ' A' ' 78' ' ' VAL . 78.1 t -55.7 -51.71 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.487 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 33.9 t -37.1 -52.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.15 -52.88 18.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -58.7 -42.39 88.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.6 ' HG2' HG23 ' A' ' 78' ' ' VAL . 13.8 mt-30 -57.01 -56.45 21.58 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.9 -37.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' CB ' ' CG2' ' A' ' 67' ' ' VAL . . . -68.25 -59.6 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.598 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.46 -37.98 68.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.731 ' OH ' ' C ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.56 -64.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptm -37.32 -62.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.58 HD23 ' C ' ' A' ' 32' ' ' THR . 2.0 tp -57.93 -35.72 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.2 t60 -65.89 -50.68 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.62 -26.64 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -16.97 29.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.215 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.94 22.18 72.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.416 1.073 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 7.3 mm-40 -98.24 176.13 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.58 ' C ' HD23 ' A' ' 26' ' ' LEU . 20.7 p -129.6 168.01 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.722 HG21 ' CA ' ' A' ' 70' ' ' GLY . 1.3 m -124.15 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.749 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 80.65 -156.76 39.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -92.01 -13.46 30.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.698 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -82.01 -157.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.464 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 95.7 p -127.5 51.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.698 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -103.14 142.84 25.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.598 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.027 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.604 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.6 p80 -177.89 168.63 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.491 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.9 tppp? -54.3 156.05 3.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.728 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -149.29 -34.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.818 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 54.3 -99.49 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.818 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.1 p-10 154.05 173.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 172.74 -46.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.949 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.596 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -47.02 -17.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.98 54.09 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.77 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 84.8 m-85 -99.16 130.43 45.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.55 63.65 4.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.77 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -67.84 93.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -68.31 29.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.645 ' H ' ' C ' ' A' ' 50' ' ' PHE . 6.8 m -127.2 157.67 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.625 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 60.8 m -87.59 141.75 28.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.83 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -65.6 172.01 3.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.83 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 159.58 97.78 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.7 m-85 -101.49 116.34 32.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.998 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -98.22 142.86 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.711 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.5 pp20? -106.08 142.42 35.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.937 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 34.8 t-105 -156.39 145.52 15.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 108.031 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.937 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 136.25 20.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.546 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 5.8 tt -109.65 113.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 68' ' ' TYR . 51.9 mt -85.9 124.59 32.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 p -55.59 -19.01 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -77.72 -17.5 57.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.25 37.88 20.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -112.15 -176.41 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.525 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 25.7 t -106.11 100.49 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.811 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 19.9 t80 -45.02 148.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.749 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 31.7 p -98.28 18.41 16.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.722 ' CA ' HG21 ' A' ' 33' ' ' VAL . . . 70.96 155.9 1.87 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.553 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 141.81 -118.44 1.32 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.476 ' N ' ' HH ' ' A' ' 68' ' ' TYR . 1.5 m -121.02 67.78 16.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.948 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.811 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 6.14 3.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.737 ' HA2' ' CD2' ' A' ' 92' ' ' HIS . . . -33.61 112.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.696 ' CB ' ' O ' ' A' ' 74' ' ' GLY . . . 146.62 -60.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.546 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 53.8 m-20 -125.96 121.17 32.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.582 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.4 OUTLIER -145.77 144.93 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.858 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.49 138.3 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.415 1.072 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.2 t -114.88 134.36 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.998 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -147.31 -167.16 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.748 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -131.41 -172.15 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.731 ' C ' ' OH ' ' A' ' 24' ' ' TYR . 6.1 tt0 -88.18 13.64 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.077 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.81 -22.9 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.72 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 103.94 26.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.077 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.0 mt-30 -110.03 133.55 53.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.533 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.33 131.69 34.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.9 -39.31 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 166.03 -142.59 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.795 ' O ' ' N ' ' A' ' 103' ' ' CYS . 90.7 t -143.49 92.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.437 0.728 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 1.1 pt -84.56 164.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.211 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.703 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -158.04 151.34 23.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.879 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.2 m-70 -77.19 -9.57 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.63 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -32.36 74.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.879 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 65.16 -58.69 0.09 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.696 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . 45.8 7.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 0.808 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.685 ' H ' ' C ' ' A' ' 94' ' ' GLY . 2.2 t 82.79 10.52 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.061 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 162.35 -138.28 5.3 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.71 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.9 t-20 -94.53 -2.95 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.239 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.696 ' ND2' ' O ' ' A' ' 95' ' ' ALA . 6.7 p30 -62.51 -169.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.637 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 50.1 m-85 -129.09 166.39 19.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.637 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 17.5 m -164.13 134.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.499 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -54.2 124.9 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.7 m -53.51 -171.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.656 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.49 -28.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.767 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 80.3 m-85 -141.33 113.91 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.58 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 6.9 m -122.6 106.83 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 29.6 m -80.6 68.14 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.16 -48.66 3.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.597 1.186 . . . . 0.0 111.066 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.5 p -158.23 49.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.07 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.778 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -123.1 -166.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.656 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.2 t -171.96 78.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.879 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.44 53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 5.3 p -28.74 152.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 p -39.28 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.1 t -81.72 -25.69 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.879 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -83.08 -21.59 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.767 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 26.9 t -74.52 -71.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.511 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 15.5 t -41.46 -53.33 3.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -48.65 -48.64 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -59.51 -44.57 93.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.737 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 6.9 mt-30 -62.9 -58.24 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.57 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.518 ' CB ' ' CG2' ' A' ' 67' ' ' VAL . . . -72.03 -55.9 6.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.07 -44.34 94.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 4.2 t80 -65.33 -63.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.9 tptp -38.07 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 32' ' ' THR . 4.8 tp -56.38 -36.77 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.836 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.0 t60 -63.85 -50.29 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.597 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -58.05 -27.77 63.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.05 -15.06 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.65 24.42 76.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.2 mm-40 -101.86 176.88 5.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.576 ' C ' HD23 ' A' ' 26' ' ' LEU . 74.8 p -129.03 176.57 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.66 ' C ' ' O ' ' A' ' 69' ' ' SER . 2.4 m -130.15 129.98 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.69 -150.8 36.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.71 -10.47 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -80.87 -164.12 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 3.8 p -126.38 46.18 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.8 m-85 -99.21 144.19 27.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.58 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -74.99 -171.07 8.88 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.979 -0.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -177.33 157.98 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -46.11 150.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.696 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -142.67 -34.55 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.808 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 55.68 -96.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.808 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.9 p-10 152.84 178.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.227 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 173.45 -47.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 7.2 mt-10 -47.29 -17.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.475 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.03 53.65 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.093 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.832 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 92.4 m-85 -96.2 133.05 40.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.32 61.43 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.832 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.1 m-30 -66.79 97.51 0.47 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.152 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.7 p -73.98 25.46 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.585 HG22 ' OD1' ' A' ' 81' ' ' ASN . 27.0 m -116.71 161.23 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.679 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.2 m -89.62 136.24 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.781 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.23 170.39 5.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.971 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.781 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.09 157.75 99.32 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.036 0.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.594 ' CD2' ' HD2' ' A' ' 50' ' ' PHE . 20.5 m-85 -97.89 121.39 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.907 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -101.26 133.09 46.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.601 1.188 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 6.9 pt-20 -100.54 135.85 41.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.4 t-105 -151.0 149.67 25.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 107.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 154.37 42.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.538 HG13 ' HB1' ' A' ' 19' ' ' ALA . 15.5 tt -119.29 115.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 68' ' ' TYR . 89.7 mt -83.41 124.27 30.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.3 p -57.73 -12.14 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -91.89 -11.94 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.99 37.2 33.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' HB2' HD11 ' A' ' 62' ' ' LEU . 84.3 m-20 -114.08 -174.11 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.518 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 50.0 t -100.27 109.53 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.78 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 22.9 t80 -43.85 170.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' C ' ' A' ' 33' ' ' VAL . 48.0 p -95.81 -52.5 4.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.694 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 143.08 151.2 5.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.65 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 94.09 -108.44 3.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.62 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.6 t -102.31 96.8 7.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.036 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.854 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.4 Cg_endo -74.95 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.561 1.822 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 76' ' ' ASP . . . 155.96 45.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.712 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . 68.19 -49.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.694 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.1 m-20 -56.66 128.23 35.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.854 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -151.24 136.53 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 1.01 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -101.96 130.94 50.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.009 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.1 t -106.76 129.0 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.907 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.4 p90 -143.01 -162.33 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.885 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -135.05 -164.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.568 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.18 21.1 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.247 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.094 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -106.18 -28.24 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.74 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 108.25 19.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.094 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.3 mt-30 -95.58 -173.33 2.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.907 HD23 ' H ' ' A' ' 88' ' ' GLY . 1.5 tm? -136.7 128.12 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.009 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.41 -32.8 64.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.907 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 159.8 -147.24 14.14 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.675 ' O ' ' N ' ' A' ' 103' ' ' CYS . 45.6 t -139.14 92.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 42' ' ' TYR . 1.1 pt -84.29 167.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.675 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.98 143.74 12.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.353 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.712 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 5.3 m-70 -73.6 23.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.566 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -57.8 82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.09 37.2 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.768 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -69.64 -4.24 18.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.768 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 19.5 t 122.8 29.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 96.71 -93.1 1.44 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.424 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -94.88 16.6 15.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.753 ' ND2' ' HB3' ' A' ' 96' ' ' SER . 4.5 m-20 -84.78 163.49 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 25.1 m-85 -126.1 160.27 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.614 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 24.0 m -162.92 132.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.47 122.18 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 82.0 m -53.9 -171.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.383 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.761 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.45 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -136.07 -7.99 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.675 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 88.3 m-85 -132.48 92.3 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.439 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 16.2 m -100.45 107.85 19.68 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.2 m -84.18 65.18 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 -53.19 0.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.458 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -131.37 53.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 0.745 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.745 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.45 -176.01 4.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.761 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.14 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 0.0 108.253 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.716 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.66 100.46 6.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.45 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 58.5 p -64.11 179.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.92 -17.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -80.7 -30.6 36.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.716 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.29 -40.11 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG13 ' OE1' ' A' ' 20' ' ' GLN . 78.8 t -54.74 -51.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.561 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 43.6 t -36.21 -54.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.944 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.63 -50.46 24.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.453 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.516 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.0 -41.69 97.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.366 1.041 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.606 ' OE1' HG13 ' A' ' 16' ' ' VAL . 6.9 mt-30 -60.26 -59.43 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.95 -39.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.509 ' CB ' ' CG2' ' A' ' 67' ' ' VAL . . . -69.18 -57.12 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.718 ' O ' ' HB2' ' A' ' 27' ' ' HIS . . . -55.79 -47.94 75.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.672 ' CE2' ' OE1' ' A' ' 28' ' ' GLU . 6.4 t80 -53.74 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.5 tptp -41.44 -65.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.555 ' CD2' ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -55.53 -28.7 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.877 ' CD2' ' CD2' ' A' ' 57' ' ' TYR . 73.8 t60 -73.04 -52.86 12.79 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.672 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -55.34 -26.32 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.27 -13.14 55.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.13 21.28 79.25 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' HD13 ' A' ' 26' ' ' LEU . 69.0 mm-40 -106.56 169.44 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -131.54 157.78 42.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.874 ' HB ' ' C ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -72.61 122.57 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.642 ' O ' ' CB ' ' A' ' 35' ' ' SER . . . -46.41 104.36 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.424 1.077 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.85 ' HB2' ' CA ' ' A' ' 70' ' ' GLY . 2.7 m 147.64 -29.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.783 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.77 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 2.8 m-20 -152.4 -162.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.503 ' C ' ' CG2' ' A' ' 32' ' ' THR . 19.1 p -112.61 35.29 3.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.699 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.6 OUTLIER -97.78 144.92 28.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.565 ' HG2' ' HB2' ' A' ' 27' ' ' HIS . 18.4 Cg_endo -74.89 -169.33 7.21 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.004 -0.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.584 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.0 p80 178.96 165.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 2.9 ttpm? -49.1 168.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.749 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 19.1 t80 -154.72 13.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 6.3 m-80 -10.49 87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.791 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -47.47 168.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 178.73 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -45.87 -20.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.24 55.82 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.731 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 82.5 m-85 -100.89 133.08 45.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.37 71.23 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.726 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -79.28 104.96 10.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -75.5 26.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 50' ' ' PHE . 16.3 m -124.12 161.92 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.731 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 75.1 m -88.52 153.37 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.793 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -83.27 171.29 11.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.075 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.793 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.95 159.65 97.69 Favored 'Cis proline' 0 C--N 1.359 1.083 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.956 0.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.624 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 23.2 m-85 -97.4 133.79 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.877 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 11.6 m-30 -113.19 130.18 56.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.6 pp20? -97.28 142.53 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 21.8 t-105 -155.53 149.11 18.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.0 148.75 35.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.646 HD12 ' CD2' ' A' ' 11' ' ' TYR . 7.2 tt -118.69 113.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 68' ' ' TYR . 86.9 mt -83.51 116.51 22.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.6 p -54.42 -14.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -84.11 -14.62 49.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 33.44 25.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -108.87 -172.42 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.769 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.509 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 32.7 t -114.6 114.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.766 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 5.1 t80 -40.02 164.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.874 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 27.4 p -114.56 -9.03 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.85 ' CA ' ' HB2' ' A' ' 35' ' ' SER . . . 121.19 178.96 16.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.794 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 72.43 -145.3 37.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.706 ' C ' ' OH ' ' A' ' 68' ' ' TYR . 28.8 m -89.8 106.52 14.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.953 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.09 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.564 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 119.3 -101.92 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.778 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -140.7 -43.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 0.818 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.716 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 5.0 m-20 -61.53 132.48 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.716 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 10.0 mmt-85 -153.25 146.97 25.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.742 ' N ' ' O ' ' A' ' 59' ' ' TRP . 5.1 m -113.83 135.35 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.881 ' O ' ' N ' ' A' ' 87' ' ' ALA . 70.6 t -111.58 137.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.852 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 5.8 p90 -145.81 -153.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.83 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -141.31 -163.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.599 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.26 17.06 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.83 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -104.8 -29.84 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.735 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 110.5 19.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.852 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 55.8 mt-30 -94.28 -176.64 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.241 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.59 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.42 127.0 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.881 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.22 -41.72 66.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.04 -135.17 3.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.816 ' O ' ' N ' ' A' ' 103' ' ' CYS . 47.0 t -150.75 92.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.586 HD11 ' CE2' ' A' ' 42' ' ' TYR . 2.0 pt -87.15 166.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.778 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.13 150.69 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.666 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.7 m170 -75.54 11.88 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -46.88 89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.96 42.4 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.65 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.22 -11.18 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 0.72 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.6 t 98.18 47.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.4 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 120.87 -131.63 8.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.21 7.78 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.591 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -70.35 161.35 30.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 19.1 m-85 -114.27 167.01 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.626 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 31.0 m -162.86 133.9 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -55.37 125.29 20.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 99.5 m -55.34 -168.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.378 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.73 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -137.57 -3.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.689 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 83.5 m-85 -137.32 91.5 2.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.462 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 6.3 m -101.13 106.8 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.165 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 6.3 m -83.13 66.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.06 -52.34 0.56 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.438 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -132.22 52.76 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.779 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.87 -176.83 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.73 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -177.21 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.689 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.26 100.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.482 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 28.6 p -64.04 178.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -50.77 -17.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.043 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.0 t -81.09 -30.01 34.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -83.9 -39.45 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.662 ' CG1' HG22 ' A' ' 78' ' ' VAL . 92.0 t -58.74 -49.55 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.547 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 7.6 t -35.91 -52.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.965 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -51.93 31.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -60.83 -41.73 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.6 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 11.0 mt-30 -57.49 -54.68 44.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -35.57 -39.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.508 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . -74.7 -49.4 21.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.578 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.17 -41.99 54.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -76.38 -66.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -37.19 -56.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.778 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 11.5 tp -62.59 -36.98 84.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 25.9 t60 -64.17 -45.33 88.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.523 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.65 -24.29 66.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 10.8 m-20 -83.91 -22.83 31.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.85 22.32 69.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.667 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 5.2 mm-40 -101.2 175.16 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.7 p -126.59 -177.87 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.778 ' CG1' ' CD2' ' A' ' 26' ' ' LEU . 13.8 m -136.4 127.93 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.599 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 76.18 -144.45 30.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -97.03 -14.69 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.605 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -75.39 -165.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -125.4 43.24 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.056 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.605 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -97.84 147.34 32.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.578 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.02 -169.91 7.79 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.987 -0.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.647 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.4 p80 177.94 162.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.622 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -47.44 163.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.729 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 2.3 t80 -154.84 -40.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.821 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 1.8 m-80 61.19 -95.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.821 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.0 p-10 153.82 171.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.788 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.94 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.722 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.13 -19.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.76 52.95 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.832 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 97.6 m-85 -95.58 133.87 39.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.89 57.22 2.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.832 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -60.6 93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -71.62 24.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.637 HG22 ' OD1' ' A' ' 81' ' ' ASN . 22.3 m -114.75 160.95 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.694 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -89.31 139.32 30.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.786 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.6 p -68.93 169.62 10.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.786 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.98 159.53 97.88 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.037 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.581 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.3 m-85 -99.8 121.63 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.892 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.0 m-30 -100.54 130.98 46.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.729 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.6 pt-20 -99.76 132.32 45.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.004 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 39.1 t-105 -145.4 145.93 28.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.004 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.94 149.49 37.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.411 1.742 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.519 ' HB ' HG11 ' A' ' 78' ' ' VAL . 6.6 tt -117.77 118.8 59.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 68' ' ' TYR . 88.6 mt -87.65 119.34 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -59.55 -9.83 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.21 -19.38 28.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.04 35.35 9.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -113.89 -172.57 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.508 ' CG2' ' HB3' ' A' ' 22' ' ' ALA . 26.7 t -109.8 111.01 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.895 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 16.1 t80 -40.16 146.26 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.563 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 57.0 p -157.84 66.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.626 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -166.18 -143.54 3.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.687 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.7 -33.51 0.65 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 74' ' ' GLY . 13.0 p -116.22 82.93 12.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.039 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.645 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 43.66 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 72.28 -102.04 1.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.098 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.58 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -150.18 -36.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.646 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 4.4 m-20 -60.64 129.64 42.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.646 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 6.2 mmt-85 -147.96 143.31 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.815 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -109.67 141.13 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.7 t -118.37 134.66 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.385 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.892 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -147.07 -161.09 1.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.853 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.81 -162.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.499 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.6 17.5 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.08 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.91 -30.77 10.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.734 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 109.85 20.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.08 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.3 mt-30 -92.48 -171.8 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.756 HD23 ' H ' ' A' ' 88' ' ' GLY . 2.0 tm? -133.42 125.88 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.25 -31.84 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.756 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 157.52 -149.44 20.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.766 HG11 ' SG ' ' A' ' 103' ' ' CYS . 8.8 t -139.92 95.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.743 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -93.5 161.33 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.754 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -146.35 142.41 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.653 ' HA ' ' O ' ' A' ' 99' ' ' ASN . 7.3 m170 -60.81 17.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.754 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.2 m -85.54 172.62 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.45 63.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.646 ' N ' ' O ' ' A' ' 93' ' ' THR . . . -137.59 67.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.7 t -56.36 -13.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . -113.41 -87.15 1.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 1.299 ' O ' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -91.27 81.05 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.693 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -26.34 52.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 1.299 ' N ' ' O ' ' A' ' 98' ' ' ASN . 16.8 m-85 -153.96 144.58 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.698 ' H ' ' H ' ' A' ' 91' ' ' THR . 3.7 m -169.82 130.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -47.03 112.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.165 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.5 m -53.99 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.404 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.614 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.89 -34.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.743 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 73.4 m-85 -121.23 127.33 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.631 ' O ' ' HB3' ' A' ' 103' ' ' CYS . 1.9 m -120.07 110.79 17.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.706 ' H ' ' HB2' ' A' ' 9' ' ' ASN . 21.1 m -85.79 62.86 7.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.2 -54.84 1.48 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 79.8 p -127.89 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.746 ' CB ' ' CZ ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -144.96 -177.45 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -179.09 77.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 108.271 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CZ ' ' CB ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -94.25 126.73 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -73.79 158.73 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.0 p -43.27 -22.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.49 ' N ' ' C ' ' A' ' 12' ' ' SER . 32.4 t -80.17 -22.38 42.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.723 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -81.92 -22.95 36.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.748 HG12 ' CD2' ' A' ' 86' ' ' LEU . 19.2 t -75.04 -71.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.516 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -39.81 -55.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -46.64 11.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -61.94 -44.12 97.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.693 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 9.8 mt-30 -59.85 -58.14 9.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.35 -38.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.486 ' CB ' HG23 ' A' ' 67' ' ' VAL . . . -75.97 -50.82 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.648 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -54.2 -42.2 72.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.405 1.066 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -77.77 -63.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 111.041 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.8 tptp -34.71 -62.31 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD23 ' C ' ' A' ' 32' ' ' THR . 5.1 tp -58.65 -39.03 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.827 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 47.3 t60 -61.87 -48.46 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -61.26 -26.35 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.21 -19.06 27.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.24 23.63 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 22.6 mm-40 -99.52 171.53 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 0.806 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.586 ' C ' HD23 ' A' ' 26' ' ' LEU . 71.3 p -124.11 -179.06 4.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.681 HG22 ' CH2' ' A' ' 59' ' ' TRP . 1.8 m -141.72 128.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.496 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 82.64 -147.93 25.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -96.61 -14.72 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.475 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -80.76 -164.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -123.78 44.19 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.528 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.2 m-30 -94.63 147.4 33.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.648 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.02 -170.93 8.73 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.929 0.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 28.9 p80 179.23 169.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.662 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -52.14 159.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.77 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.4 t80 -154.29 -38.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.827 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 58.27 -95.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.8 p-10 153.33 168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -177.06 -49.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.87 -19.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.08 54.25 0.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.825 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 97.6 m-85 -95.29 134.31 38.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 12.3 m-30 -64.0 93.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -73.01 24.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.592 HG22 ' OD1' ' A' ' 81' ' ' ASN . 18.4 m -116.16 160.9 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.667 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 t -89.24 138.91 31.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.819 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.53 171.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.819 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.04 159.17 98.36 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.987 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.4 m-85 -99.93 117.17 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.1 m-30 -98.98 135.07 40.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.604 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.3 pp20? -99.22 144.84 27.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.986 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 35.7 t-105 -160.97 147.03 11.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.986 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.09 156.22 42.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.428 1.752 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.551 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 18.7 tt -119.67 126.26 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.701 HD22 ' CE1' ' A' ' 68' ' ' TYR . 65.6 mt -90.31 123.51 34.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -60.44 -7.95 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -96.63 -7.42 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.478 ' C ' HD13 ' A' ' 62' ' ' LEU . 2.6 m-20 -113.84 -164.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.486 HG23 ' CB ' ' A' ' 22' ' ' ALA . 24.0 t -110.61 123.69 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.939 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -73.69 139.54 45.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' HG21 ' A' ' 33' ' ' VAL . 32.0 p -111.36 -81.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.402 1.064 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . . . -33.26 150.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.496 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.12 -15.23 60.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -109.8 95.28 19.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.597 0.822 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 1.071 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -86.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 76' ' ' ASP . . . 173.5 60.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.56 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . 56.66 -51.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.836 ' N ' ' O ' ' A' ' 74' ' ' GLY . 5.2 m-20 -56.15 126.4 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 1.071 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -148.78 139.78 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.93 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -107.91 134.18 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -108.2 140.61 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.996 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 8.6 p90 -151.09 -164.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.87 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -134.31 -168.4 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.506 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.3 tt0 -89.56 18.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.089 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.42 -26.04 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.26 20.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.089 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.9 mt-30 -99.95 -178.08 3.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.748 ' CD2' HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -131.31 131.11 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.868 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.03 -34.46 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.82 -152.48 23.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.15 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.651 ' O ' ' N ' ' A' ' 103' ' ' CYS . 50.1 t -132.52 92.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.6 HD11 ' CE2' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -84.48 163.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.788 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -154.95 141.66 18.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.61 ' HA ' ' O ' ' A' ' 99' ' ' ASN . 10.0 m170 -58.26 27.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.788 ' H ' ' C ' ' A' ' 91' ' ' THR . 2.9 m -92.29 168.94 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.52 63.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 93' ' ' THR . . . -135.08 68.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -56.88 -12.9 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.058 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -114.8 -85.43 1.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 1.284 ' O ' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -91.55 81.06 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.627 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -26.68 52.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 109.324 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 1.284 ' N ' ' O ' ' A' ' 98' ' ' ASN . 15.9 m-85 -153.02 142.64 21.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.731 ' H ' ' H ' ' A' ' 91' ' ' THR . 3.6 m -168.53 130.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -47.88 112.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.651 ' N ' ' O ' ' A' ' 89' ' ' VAL . 62.8 m -53.37 -170.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.547 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -38.03 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.859 ' HB3' HG12 ' A' ' 89' ' ' VAL . 94.0 m-85 -137.96 114.25 10.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.688 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -123.82 107.2 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.0 m -82.42 64.96 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.15 -53.28 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 111.084 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -149.19 48.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.765 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.54 -168.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.547 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 43.6 t -172.05 74.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 108.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.872 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.0 m-85 -87.08 47.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -26.65 151.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 53.7 p -38.87 -23.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.058 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -81.93 -25.57 34.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.085 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.872 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.95 -22.3 29.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.832 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 39.5 t -75.07 -71.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.8 t -37.2 -50.74 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -47.72 -51.11 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -63.02 -42.41 99.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.184 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 4.9 mt-30 -58.96 -58.43 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.04 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -80.0 -50.14 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.68 -43.16 99.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -72.69 -62.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 0.82 . . . . 0.0 111.038 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 18.9 tptm -36.58 -61.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.614 HD23 ' C ' ' A' ' 32' ' ' THR . 2.6 tp -58.28 -37.34 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 60.5 t60 -64.23 -49.16 73.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.587 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.51 -25.74 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.57 -18.27 26.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.32 23.71 67.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 15.0 mm-40 -99.02 173.76 6.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.614 ' C ' HD23 ' A' ' 26' ' ' LEU . 82.6 p -124.31 -179.6 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.702 HG22 ' CH2' ' A' ' 59' ' ' TRP . 1.4 m -141.78 131.0 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.54 -154.51 38.34 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t -96.21 17.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.7 m-20 -113.71 -166.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.9 p -120.76 41.71 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.943 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.512 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.3 m-30 -93.97 147.78 34.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.078 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.597 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.05 -169.34 7.27 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.961 0.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.572 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 176.65 167.64 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.543 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -49.08 163.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.776 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 12.2 t80 -152.02 12.36 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.693 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -8.92 84.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.758 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -50.73 168.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.758 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.18 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 111.061 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.51 -20.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.504 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.39 55.46 0.36 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.707 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 83.2 m-85 -99.55 130.22 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.33 59.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 21.8 m-30 -58.78 113.23 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -61.42 0.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 1.082 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.549 ' H ' ' C ' ' A' ' 50' ' ' PHE . 15.6 m -111.47 151.19 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 1.07 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 36.1 t -86.97 172.25 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.735 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 17.4 p -79.82 164.08 55.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.773 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.05 172.97 60.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.932 0.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.64 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.8 m-30 -116.75 126.84 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.999 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.6 m-30 -112.72 118.25 34.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -78.63 137.73 37.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.892 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 51.0 t-105 -158.2 144.17 12.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.977 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 146.67 33.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.834 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 12.5 tt -112.84 120.86 63.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.811 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 41.7 mt -84.63 124.06 31.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 0.62 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -104.13 -7.14 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.62 38.91 42.36 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.524 1.14 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.508 ' C ' HD11 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -114.39 -161.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.257 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.498 HG23 ' CB ' ' A' ' 22' ' ' ALA . 13.1 t -117.21 120.5 65.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.977 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -71.01 108.36 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.513 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 3.7 p -108.22 37.11 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.58 156.27 26.17 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.489 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -77.37 -16.06 80.83 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -114.99 81.85 8.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.783 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -45.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 144.24 -118.59 1.18 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . -117.67 -45.9 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.603 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 m-20 -60.87 126.61 28.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.74 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.94 144.99 29.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.871 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -109.8 157.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.33 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 73.0 t -137.9 89.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.999 ' O ' ' N ' ' A' ' 57' ' ' TYR . 15.8 p90 -100.2 -160.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.07 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -134.7 -165.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.685 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 11.3 tt0 -90.84 13.91 15.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.091 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -104.9 -22.45 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.87 20.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.091 HE21 ' ND2' ' A' ' 83' ' ' ASN . 28.3 mt-30 -105.89 115.69 30.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.832 ' HB3' ' CG1' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -99.01 146.25 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -154.5 -34.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 1.33 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -60.48 51.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.949 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.4 t -78.88 34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.913 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.83 175.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.723 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.95 154.12 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.0 m170 -85.31 4.13 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.662 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.41 -20.86 31.17 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.539 ' O ' ' CG2' ' A' ' 101' ' ' VAL . . . -123.69 36.07 3.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.613 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . . . -131.15 -44.36 1.03 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 0.793 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t 76.29 55.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.41 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 147.6 -134.77 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.518 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.3 OUTLIER -93.51 -9.81 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.707 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.81 159.06 26.15 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.913 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.0 m-85 -122.3 164.02 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.709 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 34.5 m -162.3 125.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 2.0 pt-20 -52.6 123.14 10.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 98.9 m -50.72 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 108.258 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.55 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.17 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.968 ' HB3' HG12 ' A' ' 89' ' ' VAL . 97.0 m-85 -138.44 110.9 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.895 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.45 105.94 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.111 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.4 m -80.92 61.74 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.67 -46.18 3.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.7 p -155.19 47.03 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 0.0 110.047 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.741 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -124.78 -167.83 1.73 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 45.6 t -171.96 75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.85 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.9 m-85 -88.85 49.51 1.8 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.807 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -28.39 152.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.5 p -38.91 -22.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' SER . 22.2 t -82.45 -25.6 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.85 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.29 -20.82 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.82 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 36.2 t -74.89 -70.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.6 t -36.6 -44.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.069 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -54.34 30.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -60.5 -43.24 97.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.611 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 5.1 mt-30 -58.53 -58.02 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -31.93 -37.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -79.78 -53.83 6.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -57.57 -43.96 94.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.668 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 3.0 t80 -68.78 -65.62 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 0.786 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.9 tptm -45.27 -53.73 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.777 HD23 ' CG1' ' A' ' 33' ' ' VAL . 56.7 tp -61.56 -33.46 73.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.888 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 59.6 t60 -67.7 -49.71 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.551 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.609 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.37 -23.5 64.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-20 -84.65 -22.09 30.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.43 77.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.587 ' CB ' HD13 ' A' ' 26' ' ' LEU . 39.3 mm-40 -97.89 175.07 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 42.3 p -129.31 178.05 6.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.777 ' CG1' HD23 ' A' ' 26' ' ' LEU . 4.2 m -136.38 128.01 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.559 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.65 -152.44 37.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.581 1.175 . . . . 0.0 111.044 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -96.41 18.34 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.546 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -108.07 -167.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.9 p -122.84 38.3 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.564 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.4 m-85 -94.7 144.57 28.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.589 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 -174.44 14.14 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.917 -2.535 . . . . 0.0 111.02 -0.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.613 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 174.16 165.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.09 165.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.703 ' O ' ' C ' ' A' ' 43' ' ' ASN . 22.4 t80 -149.99 12.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.703 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -6.56 84.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.776 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.6 p-10 -55.61 172.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.776 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.02 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.082 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.09 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.42 57.66 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.568 1.167 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.652 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 74.1 m-85 -102.7 130.6 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 59.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -57.73 115.35 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -61.4 1.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.578 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 14.0 m -114.29 149.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 1.006 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 8.4 t -88.36 168.6 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.785 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 76.1 p -72.33 163.37 67.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.785 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.94 173.0 60.1 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.042 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.614 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -118.47 124.84 48.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.985 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.9 m-30 -111.52 116.14 30.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.613 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 4.7 pt-20 -79.08 140.1 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.005 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 50.7 t-105 -161.5 146.61 10.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.187 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.028 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 143.57 28.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.746 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 12.7 tt -110.44 122.36 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.798 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 28.5 mt -88.35 120.9 30.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -63.21 -4.62 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -98.94 -5.73 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.02 37.66 56.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.494 ' C ' HD11 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -111.95 -162.54 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.478 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 19.4 t -119.12 120.74 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.028 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 1.4 m-85 -71.32 103.15 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.57 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 92.1 p -101.62 37.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.08 161.24 28.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.559 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -82.03 -11.97 81.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.4 t -115.46 76.57 5.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.95 -39.93 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.672 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 144.51 -110.69 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.61 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -129.52 -41.46 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.589 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.08 129.84 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.817 ' O ' ' O ' ' A' ' 88' ' ' GLY . 21.5 mmt-85 -147.26 144.76 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.87 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 1.3 m -106.98 158.14 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.354 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 75.5 t -139.52 79.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.985 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -90.89 -163.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.006 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -131.51 -166.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.673 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -90.55 16.64 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.791 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -107.06 -24.34 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.728 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 108.43 20.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.718 HE21 ' ND2' ' A' ' 83' ' ' ASN . 46.7 mt-30 -107.19 119.01 38.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.82 ' HB3' ' CG1' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -99.12 144.75 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.639 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -151.89 -35.85 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 1.354 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -62.16 52.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 1.121 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.9 t -80.94 33.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 0.79 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.911 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -65.21 175.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.723 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.79 152.9 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.0 m170 -75.19 10.45 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.492 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -49.26 89.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.21 42.84 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.646 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -61.33 -7.56 3.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.2 t 99.66 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.97 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.408 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 119.83 -131.29 8.85 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -95.9 9.09 41.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.582 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -69.45 165.79 20.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.911 ' CD1' HG13 ' A' ' 90' ' ' ILE . 16.7 m-85 -118.92 165.23 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.678 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.9 m -162.56 126.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.698 ' C ' ' H ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -49.89 131.91 22.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.121 ' HB2' ' CG1' ' A' ' 89' ' ' VAL . 56.9 m -60.1 5.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.698 ' H ' ' C ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.531 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.6 m-20 -37.47 -30.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.867 ' CD1' ' CG2' ' A' ' 89' ' ' VAL . 94.2 m-85 -138.31 114.53 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.727 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -124.73 107.22 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -82.33 64.65 7.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 108.306 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.8 -55.04 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.3 p -146.28 48.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -125.05 -169.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.531 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.0 t -172.17 74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.249 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.853 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.4 m-85 -87.39 47.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -27.26 152.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.6 p -39.39 -22.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.1 t -83.13 -24.76 32.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.853 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.96 -21.84 27.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.874 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 42.8 t -74.61 -71.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 21.0 t -36.87 -46.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.55 -53.17 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.507 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.34 -42.96 99.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.661 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 5.1 mt-30 -59.35 -58.9 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -32.96 -36.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -75.03 -55.1 6.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -59.49 -42.78 97.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.15 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.65 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.3 t80 -67.04 -61.24 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -41.48 -61.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD23 ' C ' ' A' ' 32' ' ' THR . 3.1 tp -57.27 -33.13 67.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 57.7 t60 -67.84 -51.78 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.541 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.624 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.4 -25.12 61.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 -18.47 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.73 24.25 70.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HB3' HD13 ' A' ' 26' ' ' LEU . 65.3 mm-40 -97.87 177.5 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.353 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.615 ' C ' HD23 ' A' ' 26' ' ' LEU . 63.8 p -127.25 176.83 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.364 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.711 HG22 ' CH2' ' A' ' 59' ' ' TRP . 2.9 m -138.11 132.65 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.518 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.94 -148.88 30.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.448 1.093 . . . . 0.0 111.054 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.11 -8.58 29.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -87.77 -164.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -123.44 45.29 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.8 m-85 -94.09 147.85 34.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.594 ' HD3' HD21 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 -169.98 7.85 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.042 -2.483 . . . . 0.0 110.931 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.641 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 24.5 p80 -179.53 168.37 1.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 19.7 ttpt -54.17 158.82 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.616 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -155.2 -38.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 110.979 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.85 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 3.5 m-80 57.85 -97.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.85 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.4 p-10 150.63 170.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -175.97 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 29.5 mt-10 -45.92 -16.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 108.26 54.48 0.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.57 1.169 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.781 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 93.4 m-85 -94.2 131.92 39.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.95 56.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.705 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 17.3 m-30 -55.69 102.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.41 0.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.593 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 17.9 m -108.59 151.26 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 1.127 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.9 m -85.76 170.03 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.754 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 11.3 p -77.0 164.63 57.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.803 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.07 174.19 54.0 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.986 0.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.539 ' HD2' ' O ' ' A' ' 43' ' ' ASN . 16.7 m-30 -118.41 112.48 20.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.029 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -100.74 123.06 44.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.641 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.6 pp20? -83.75 136.45 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.89 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 40.7 t-105 -157.44 145.98 14.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 108.01 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.014 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.671 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 9.3 tt -110.43 122.7 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.824 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 30.6 mt -90.1 119.97 30.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -4.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -100.2 -3.63 31.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.86 38.98 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.49 ' C ' HD11 ' A' ' 62' ' ' LEU . 1.1 m-20 -111.26 -163.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.505 HG23 ' CB ' ' A' ' 22' ' ' ALA . 17.0 t -118.45 119.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.014 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -72.34 128.93 37.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.543 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 p -155.39 65.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.4 -7.52 0.15 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.518 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 84.43 -27.07 4.8 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.67 82.25 6.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.987 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.878 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.542 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 143.67 -120.69 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.641 ' HB2' ' H ' ' A' ' 92' ' ' HIS . . . -114.26 -44.91 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.612 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.5 m-20 -61.92 128.88 38.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.905 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.98 150.95 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.896 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 2.0 m -113.2 157.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.231 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 80.5 t -140.01 83.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 1.029 ' O ' ' N ' ' A' ' 57' ' ' TYR . 11.5 p90 -94.23 -166.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.127 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -129.68 -166.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.659 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.3 tt0 -89.22 18.67 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.771 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -109.85 -25.48 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.733 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 109.32 20.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.686 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 49.6 mt-30 -104.66 118.51 36.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.874 ' HB3' ' CG1' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -100.7 133.17 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.594 ' N ' HD22 ' A' ' 86' ' ' LEU . . . -143.53 -16.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 1.231 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -74.37 45.69 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.96 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.6 t -76.05 33.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.892 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -67.16 174.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.662 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.54 154.6 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.641 ' H ' ' HB2' ' A' ' 75' ' ' ALA . 11.6 m170 -75.6 10.82 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -49.41 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.85 42.37 0.05 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.653 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -62.13 -6.51 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.4 t 99.63 47.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.046 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.58 -131.46 8.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.502 ' ND2' ' CE1' ' A' ' 92' ' ' HIS . 2.8 t-20 -96.61 10.73 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.572 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -70.54 168.08 17.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.892 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.7 m-85 -120.49 164.93 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.0 m -162.25 124.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 2.2 pt-20 -52.12 122.52 8.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -49.93 179.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.545 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.2 m-20 -38.36 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.875 ' CD1' ' CG2' ' A' ' 89' ' ' VAL . 92.2 m-85 -139.56 113.28 8.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 1.127 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.55 105.58 10.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.084 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.7 m -79.2 62.58 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 108.264 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.22 -49.04 4.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.9 p -151.98 49.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.741 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -126.53 -167.5 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 40.1 t -172.91 75.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.819 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.1 m-85 -88.06 50.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -27.9 151.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 55.1 p -38.86 -22.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' SER . 32.0 t -82.62 -25.3 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.819 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -86.3 -18.54 31.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.793 ' CG2' ' CD2' ' A' ' 4' ' ' TYR . 55.4 t -80.72 -70.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.4 t -37.87 -45.9 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -55.22 18.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.433 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.86 -44.0 94.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 1.066 ' OE1' ' HB3' ' A' ' 80' ' ' PHE . 2.4 mt-30 -58.28 -56.1 26.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -34.28 -30.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -87.25 -49.32 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.99 -44.97 96.59 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -70.56 -61.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 10.6 tptt -37.96 -60.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD23 ' C ' ' A' ' 32' ' ' THR . 2.2 tp -58.52 -35.89 72.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 67.7 t60 -66.02 -50.62 63.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.98 -26.98 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 110.388 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.48 -16.6 32.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.72 71.9 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 66.3 mm-40 -98.74 173.62 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 0.72 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.624 ' C ' HD23 ' A' ' 26' ' ' LEU . 20.8 p -127.09 176.76 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.628 HG22 ' CH2' ' A' ' 59' ' ' TRP . 1.3 m -129.38 128.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.34 -149.49 32.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -93.98 -16.66 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -77.26 -164.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' PRO . 19.5 p -125.21 47.28 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.7 m-85 -100.46 143.43 26.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.596 ' HD2' HD22 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -167.29 5.53 Favored 'Cis proline' 0 C--N 1.358 1.069 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 30.2 p80 176.57 172.45 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 2.0 tppm? -52.49 161.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.833 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 5.7 t80 -152.81 10.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -10.86 87.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.746 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -47.72 169.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.746 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.2 -43.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.59 -20.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.9 55.54 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.653 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 79.7 m-85 -101.27 131.71 47.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.27 60.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.649 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 18.3 m-30 -58.9 107.77 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -61.98 3.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 50' ' ' PHE . 10.0 m -110.47 154.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 1.171 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 35.1 m -86.57 172.85 9.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.793 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -91.83 169.79 10.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.59 1.182 . . . . 0.0 110.039 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.793 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.96 156.51 99.91 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.98 -0.03 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.612 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.2 m-85 -96.54 132.95 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.896 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.1 m-30 -114.55 118.03 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.648 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -81.79 142.67 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.989 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.4 t-105 -162.8 145.82 8.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.989 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.11 141.22 26.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.601 ' CD1' HG12 ' A' ' 78' ' ' VAL . 9.5 tt -110.55 115.29 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 68' ' ' TYR . 73.1 mt -87.04 122.51 30.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 p -58.72 -13.4 5.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.21 -12.55 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.25 39.32 31.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.0 -173.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.538 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 44.4 t -108.38 108.12 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.771 ' CD2' ' CG ' ' A' ' 60' ' ' PRO . 20.6 t80 -44.44 167.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.703 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.1 p -98.04 -43.16 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.705 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 131.98 149.9 6.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.596 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 99.47 -105.85 3.1 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.715 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 50.5 p -107.45 91.13 6.63 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.554 0.797 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.775 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -74.96 -26.22 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.774 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.57 -107.5 0.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.596 1.185 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.672 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -135.78 -45.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.524 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -63.91 127.34 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.774 HH12 ' N ' ' A' ' 74' ' ' GLY . 13.4 mmt-85 -143.66 145.48 32.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.815 ' HB ' ' CD1' ' A' ' 86' ' ' LEU . 28.7 m -113.8 147.32 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.41 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.4 t -131.91 91.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 1.066 ' HB3' ' OE1' ' A' ' 20' ' ' GLN . 14.6 p90 -99.64 -158.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.171 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -136.0 -161.87 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.579 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -92.89 11.86 25.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.328 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.071 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.73 -23.45 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 104.77 20.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.071 HE21 ' ND2' ' A' ' 83' ' ' ASN . 26.1 mt-30 -105.85 124.54 49.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.815 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 1.1 tt -92.57 153.21 19.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.5 ' CB ' HG21 ' A' ' 52' ' ' VAL . . . -160.58 -37.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 1.41 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -70.65 49.72 0.82 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 1.033 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -80.25 31.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.93 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -63.04 178.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.677 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -163.38 152.79 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.672 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . 11.2 m170 -75.49 5.01 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -43.09 87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.39 39.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 99' ' ' ASN . . . -70.24 79.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.414 ' CB ' HD21 ' A' ' 99' ' ' ASN . 1.7 t 44.95 18.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . 126.26 -112.44 1.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.591 ' ND2' ' CE1' ' A' ' 92' ' ' HIS . 2.7 t-20 -96.9 1.8 50.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.837 ' OD1' ' N ' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -61.94 164.7 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.93 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.1 m-85 -112.55 156.55 22.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 34.4 m -159.59 126.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.49 ' C ' ' N ' ' A' ' 104' ' ' THR . 0.1 OUTLIER -46.37 125.37 6.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.127 ' O ' ' O ' ' A' ' 5' ' ' THR . 52.6 m -55.49 -10.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.934 ' OG1' ' O ' ' A' ' 103' ' ' CYS . 18.3 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.528 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -39.97 -28.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.878 ' CD1' ' CG2' ' A' ' 89' ' ' VAL . 90.7 m-85 -139.48 112.27 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.714 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.2 m -123.76 105.84 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.4 m -81.03 65.34 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.11 -56.21 4.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.7 p -146.46 48.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 0.794 . . . . 0.0 110.069 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.45 -168.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 44.9 t -172.22 75.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 108.291 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.869 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-85 -88.32 48.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 15' ' ' ASP . 82.8 p -28.12 152.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.009 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.7 p -39.34 -22.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.9 t -82.68 -24.85 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.869 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.51 -22.88 30.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.851 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 50.0 t -75.58 -71.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.1 t -36.06 -45.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -53.27 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.489 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.67 -42.64 99.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.633 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.2 mt-30 -56.42 -58.13 9.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.25 -35.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -83.57 -44.23 14.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.655 ' O ' ' HG3' ' A' ' 39' ' ' PRO . . . -61.89 -44.39 97.91 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -73.51 -62.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.804 . . . . 0.0 111.027 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.2 tptp -37.97 -60.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.573 ' CD2' ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -59.73 -35.03 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.855 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.4 t60 -65.85 -50.88 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.86 -26.71 59.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.37 -18.5 29.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.81 24.04 75.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.506 ' CB ' HD13 ' A' ' 26' ' ' LEU . 7.4 mm-40 -102.04 175.45 5.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 50.6 p -123.82 -168.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.825 ' O ' ' N ' ' A' ' 35' ' ' SER . 18.8 m -132.59 134.01 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.717 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.38 76.08 0.0 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.825 ' N ' ' O ' ' A' ' 33' ' ' VAL . 24.1 p 174.5 -113.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.714 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.1 m-20 -94.06 -164.8 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.493 ' O ' ' O ' ' A' ' 39' ' ' PRO . 9.3 p -87.54 33.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.714 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.1 m-30 -79.69 145.81 63.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.655 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 18.6 Cg_endo -74.94 -175.71 16.55 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.981 -0.078 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.5 p80 177.28 170.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.647 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.5 ttpt -46.53 165.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.426 1.079 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.7 ' O ' ' C ' ' A' ' 43' ' ' ASN . 29.4 t80 -150.31 11.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.7 ' C ' ' O ' ' A' ' 42' ' ' TYR . 5.9 m-80 -6.72 80.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.684 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -51.76 160.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.684 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -162.38 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 12.2 mt-10 -40.15 -22.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.4 57.26 0.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.065 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.768 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 93.6 m-85 -100.34 135.91 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.8 58.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.604 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.3 m-30 -56.63 117.08 3.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -63.01 -0.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.573 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 15.8 m -110.45 150.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 1.007 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 33.7 t -88.3 168.38 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.055 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.739 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -75.98 166.87 41.65 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.788 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -75.07 160.09 96.99 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 0.097 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.744 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 17.0 m-30 -105.54 123.85 48.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.928 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.9 m-30 -107.39 120.44 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.672 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.4 pp20? -78.16 137.92 38.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.714 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 62.8 t-105 -165.19 140.01 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 107.976 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.111 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 155.7 42.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.697 ' HB ' HG12 ' A' ' 78' ' ' VAL . 14.5 tt -121.18 122.92 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 66' ' ' ASP . 17.6 mt -92.18 122.58 34.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -66.83 -4.94 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.94 -13.75 28.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 37.3 13.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.481 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 1.1 m-20 -108.83 -169.3 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.48 HG23 ' CB ' ' A' ' 22' ' ' ALA . 6.7 t -119.49 106.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.111 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 17.9 t80 -42.7 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 p -96.24 -52.64 3.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.717 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -71.05 -148.69 0.54 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.742 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -135.74 34.62 2.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.524 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 5.6 p -133.84 58.55 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.427 0.722 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.665 ' CB ' ' CB ' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.03 43.15 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 57.29 -93.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.612 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -154.26 -29.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.485 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -64.97 131.3 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.61 ' O ' ' O ' ' A' ' 88' ' ' GLY . 17.0 mmt-85 -143.53 141.49 30.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.972 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 5.5 m -113.53 150.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.39 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.292 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 92.5 t -130.97 116.75 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.7 p90 -122.28 -155.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.007 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -139.38 -165.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.676 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.7 tt0 -90.31 6.59 42.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.074 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -97.5 -24.08 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.724 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.01 20.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.074 HE21 ' ND2' ' A' ' 83' ' ' ASN . 30.3 mt-30 -105.04 112.52 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.859 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 2.0 tt -98.5 149.88 22.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.845 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -157.38 -40.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 1.292 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.35 55.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.936 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.4 t -82.14 35.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.888 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -66.99 176.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.641 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -165.32 152.57 10.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.612 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . 12.5 m-70 -74.89 11.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.483 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -50.93 88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.439 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.33 42.61 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.648 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.63 -9.19 3.53 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.4 t 99.62 47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.0 -131.16 8.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 3.9 t-20 -95.9 5.89 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.531 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -68.22 162.76 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.888 ' CD1' HG13 ' A' ' 90' ' ' ILE . 19.0 m-85 -116.63 166.93 11.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.684 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.1 m -161.86 125.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.537 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -54.57 123.36 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 95.4 m -50.0 177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.435 ' C ' ' H ' ' A' ' 5' ' ' THR . 70.8 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.49 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -128.08 -7.23 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.687 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 78.0 m-85 -134.57 87.52 2.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 19.6 m -97.22 103.93 15.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 14.1 m -81.45 64.67 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.86 -54.79 0.99 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.42 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 10.2 p -131.69 54.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.035 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.713 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.1 m-80 -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.49 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.38 60.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 108.253 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.687 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.78 96.82 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 15.2 p -62.09 177.97 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -17.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -81.98 -29.95 31.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.2 -40.14 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.674 ' CG1' ' CG2' ' A' ' 78' ' ' VAL . 91.1 t -58.23 -46.34 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.583 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 35.8 t -36.21 -50.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.01 -51.98 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.47 -42.13 91.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.583 ' OE1' ' HA ' ' A' ' 17' ' ' SER . 9.5 mt-30 -59.92 -55.14 37.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.02 -40.66 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . . . -61.42 -62.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.77 -41.57 96.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.434 1.084 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.178 ' CE1' ' HA ' ' A' ' 83' ' ' ASN . 1.6 m-85 -54.73 -60.73 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -43.07 -50.22 6.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 32' ' ' THR . 10.5 tp -65.28 -34.16 77.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.783 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 54.9 t60 -65.93 -50.8 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.57 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.22 -25.1 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -92.8 -21.85 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.19 30.14 57.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 59.1 mm-40 -109.13 -178.7 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.789 ' C ' HD23 ' A' ' 26' ' ' LEU . 27.8 p -120.9 -178.04 3.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.86 ' O ' ' N ' ' A' ' 35' ' ' SER . 27.6 m -123.15 118.44 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 33' ' ' VAL . . . -2.95 62.25 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 33' ' ' VAL . 79.2 p 176.35 -148.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.726 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.5 m-20 -52.16 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 39' ' ' PRO . 66.5 p -91.75 35.08 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.726 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -80.66 143.33 54.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.541 ' CD ' HD22 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 -179.83 28.07 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.985 0.004 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.586 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.7 p80 -170.11 169.01 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.498 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 23.6 ttpt -51.43 166.31 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.744 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -159.27 -24.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.87 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 11.7 m-80 49.5 -104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.87 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.6 p-10 152.16 178.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 167.78 -45.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.936 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.1 -18.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 110.74 54.58 0.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.744 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 82.4 m-85 -97.33 134.49 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 0.746 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 67.05 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.735 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 15.7 m-30 -70.71 105.52 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.0 p -73.72 24.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.758 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 30.5 m -129.92 161.22 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.681 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.6 m -93.33 154.46 17.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.79 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -69.72 171.4 7.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.79 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.0 Cg_endo -75.07 151.35 96.71 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.951 0.081 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.571 ' O ' ' N ' ' A' ' 42' ' ' TYR . 17.3 m-85 -90.53 112.67 24.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.856 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 13.5 m-30 -95.3 136.0 36.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.641 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -98.29 147.07 25.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.903 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 52.2 t-105 -164.32 146.41 7.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.936 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.04 153.05 41.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.538 1.809 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.52 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 13.4 tt -121.3 115.96 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 66' ' ' ASP . 13.5 mt -88.1 119.07 28.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -3.99 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.51 -14.38 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.0 11.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.498 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -107.02 -169.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 3.5 t -126.33 103.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.936 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 25.5 t80 -45.3 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 26.2 p -89.16 -38.19 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.665 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -84.72 -150.81 12.49 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.725 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -124.76 25.41 5.88 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -125.83 66.73 58.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.707 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.7 Cg_endo -74.9 -92.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 158.09 169.11 21.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.686 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.65 -45.92 7.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.578 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 18.1 m-20 -60.25 127.96 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.707 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -147.24 150.78 35.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.746 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -117.77 141.36 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.117 ' O ' ' N ' ' A' ' 87' ' ' ALA . 69.3 t -125.45 129.84 72.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 1.033 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 3.8 p90 -132.57 -160.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.352 HD22 ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -149.32 -121.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 1.177 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 51.1 tt0 -33.18 -95.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.178 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -158.71 85.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.8 ' N ' ' CZ ' ' A' ' 24' ' ' TYR . 1.9 p30 111.91 17.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.352 ' CG ' HD22 ' A' ' 81' ' ' ASN . 6.6 mm-40 -109.67 47.88 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.218 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.593 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.9 134.49 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.37 -44.87 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.98 -133.0 2.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.763 ' O ' ' N ' ' A' ' 103' ' ' CYS . 78.5 t -150.74 89.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -83.8 164.76 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.686 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.39 153.14 17.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.619 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.5 m170 -77.11 20.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.54 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.496 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -74.07 120.84 20.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 31.45 42.65 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.103 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.494 ' C ' ' ND2' ' A' ' 99' ' ' ASN . . . -74.64 -20.88 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.502 ' C ' HD22 ' A' ' 99' ' ' ASN . 3.9 t 83.56 45.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.59 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 128.06 -134.66 8.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -95.87 4.63 52.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.719 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.11 -177.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 27.7 m-85 -132.89 167.48 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.619 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 31.2 m -162.19 134.94 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -58.53 125.4 23.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.9 m -55.25 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.625 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -36.95 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.816 ' CE1' HG22 ' A' ' 89' ' ' VAL . 89.7 m-85 -135.25 125.37 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.071 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.716 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.7 m -133.56 104.55 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.8 m -80.17 64.61 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.61 -52.01 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.9 p -150.01 48.35 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.744 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -123.61 -168.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.625 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 48.9 t -171.78 75.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.922 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 20.1 m-85 -87.62 43.53 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.831 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -24.63 149.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.006 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' SER . 6.5 p -38.38 -22.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.999 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.5 t -83.22 -23.04 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.922 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -84.71 -32.5 23.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.771 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 35.1 t -62.61 -66.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.526 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 33.8 t -42.41 -52.77 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.063 . . . . 0.0 110.009 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -51.57 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.523 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -43.66 96.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.721 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 2.9 mt-30 -57.2 -58.67 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.39 -37.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -75.67 -55.25 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.07 -42.99 99.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.677 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.7 t80 -67.3 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.594 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 18.4 tptt -40.58 -62.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 32' ' ' THR . 4.0 tp -57.14 -33.21 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.857 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.2 t60 -67.92 -52.51 35.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.636 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.604 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.21 -27.21 44.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.75 -16.85 31.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.94 23.78 75.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.9 mm-40 -102.0 179.86 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 0.718 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.627 ' C ' HD23 ' A' ' 26' ' ' LEU . 23.9 p -126.51 170.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.469 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.606 HG22 ' CZ3' ' A' ' 59' ' ' TRP . 16.9 m -116.01 121.64 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.56 ' HA3' ' HA3' ' A' ' 70' ' ' GLY . . . 80.2 -142.59 24.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -97.72 -20.3 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 0.719 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.612 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.6 m-20 -69.94 -165.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 39' ' ' PRO . 18.8 p -125.48 46.74 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -102.91 145.78 31.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.589 ' HD3' HD21 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 -161.54 2.51 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.044 -0.105 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.764 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.1 p80 175.58 161.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.542 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.5 OUTLIER -41.9 163.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.707 ' O ' ' C ' ' A' ' 43' ' ' ASN . 44.1 t80 -147.17 10.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -7.71 82.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.74 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.6 p-10 -52.96 162.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.74 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -168.63 -38.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -17.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 107.75 51.79 0.73 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 27.2 m-85 -97.19 137.54 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.04 57.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.6 m-30 -53.79 120.34 6.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.2 p -61.52 -1.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.661 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 14.7 m -108.99 150.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 1.213 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.1 m -85.11 179.36 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.726 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 12.9 p -87.07 164.25 36.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.781 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -75.03 175.2 48.93 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.946 -2.523 . . . . 0.0 111.04 0.021 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.802 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 11.8 m-30 -116.77 125.29 51.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.929 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.7 m-30 -111.09 119.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.764 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -77.16 139.06 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.829 ' O ' ' N ' ' A' ' 78' ' ' VAL . 63.5 t-105 -159.57 139.6 8.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.018 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.0 138.11 22.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.592 HD12 ' CD1' ' A' ' 11' ' ' TYR . 11.1 tt -107.72 111.3 35.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt -88.52 116.79 27.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.22 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -58.88 -14.72 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.002 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -18.22 56.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.36 38.25 11.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -109.98 -175.67 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 8.9 t -115.25 100.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.085 ' OH ' ' N ' ' A' ' 71' ' ' GLY . 17.6 t80 -36.14 127.96 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 10.5 p -109.94 45.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.731 ' C ' ' CE1' ' A' ' 68' ' ' TYR . . . 76.74 141.27 1.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.573 1.171 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 1.085 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 154.24 -145.31 12.45 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.605 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -130.27 53.0 10.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.865 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.92 45.87 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 111.101 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -58.02 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.697 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . -19.49 -56.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 74' ' ' GLY . 92.3 m-20 -122.9 114.63 20.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.617 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -138.7 144.73 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.957 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 4.4 m -118.01 150.53 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.272 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.3 t -129.58 118.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.929 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.3 p90 -127.01 -157.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.213 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -139.64 -168.99 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.748 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 1.2 tp10 -89.45 21.55 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.064 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -112.57 -20.23 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.707 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.3 21.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.064 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.8 mt-30 -107.92 105.31 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.863 ' CD2' ' HB ' ' A' ' 78' ' ' VAL . 3.1 tp -99.43 141.74 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -146.97 -45.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 1.272 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -44.31 54.68 0.0 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 1.011 ' N ' ' O ' ' A' ' 87' ' ' ALA . 52.9 t -84.57 40.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 0.776 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.842 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.38 172.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.791 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.84 163.39 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.615 ' HB2' ' HA ' ' A' ' 75' ' ' ALA . 13.1 m170 -84.16 -10.69 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 109.599 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -35.58 97.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' SER . . . 38.39 37.05 0.46 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.674 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -67.56 61.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.3 OUTLIER 34.46 30.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 110.056 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.0 -125.23 4.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.634 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -98.75 2.92 47.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.391 0.701 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.737 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 0.2 OUTLIER -62.47 172.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.842 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.2 m-85 -119.31 158.8 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.618 ' HA ' ' HE1' ' A' ' 48' ' ' PHE . 27.1 m -160.07 123.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 0.6 OUTLIER -49.99 123.77 8.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -50.88 173.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 108.344 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.496 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.8 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -37.71 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.88 ' CD1' ' CG2' ' A' ' 89' ' ' VAL . 91.4 m-85 -137.9 115.41 11.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.694 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.5 m -124.9 107.01 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.8 m -82.14 64.71 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.94 -54.98 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.544 1.152 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.427 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -146.49 48.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.978 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.746 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.4 -169.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t -171.76 73.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.881 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.8 m-85 -86.07 46.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.81 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -27.15 151.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.4 p -38.67 -22.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -83.02 -25.18 32.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.881 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.17 -26.25 28.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.804 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 47.6 t -71.46 -70.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.485 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.4 t -38.26 -49.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -51.15 35.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -62.04 -44.59 96.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.705 ' NE2' ' HB2' ' A' ' 86' ' ' LEU . 10.7 mt-30 -56.27 -58.32 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.53 -39.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . -71.35 -59.54 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -59.87 -39.3 95.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.65 ' CE2' ' HA ' ' A' ' 84' ' ' ASN . 1.3 t80 -68.48 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 11.5 tptp -38.41 -59.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.683 HD21 ' HD3' ' A' ' 39' ' ' PRO . 1.9 tp -59.87 -34.86 73.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.3 t60 -66.6 -50.7 62.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.22 -26.83 61.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.23 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.01 -17.23 29.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.38 22.82 72.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.1 mm-40 -100.99 179.29 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.666 ' C ' HD23 ' A' ' 26' ' ' LEU . 82.5 p -125.55 169.5 12.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.571 HG22 ' CH2' ' A' ' 59' ' ' TRP . 4.4 m -115.92 128.85 73.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' HA3' ' O ' ' A' ' 69' ' ' SER . . . 72.1 -152.06 48.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -96.41 15.09 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.979 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.601 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.1 m-20 -104.9 -165.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.17 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 39' ' ' PRO . 12.7 p -121.06 43.28 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.966 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.601 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.92 142.96 25.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.683 ' HD3' HD21 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.07 -162.89 2.93 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.645 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.2 p80 170.61 163.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.529 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -42.36 163.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.787 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 36.8 t80 -146.11 10.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -4.84 77.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -47.38 160.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -163.78 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 18.0 mt-10 -41.91 -20.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 110.81 56.48 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.751 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 86.5 m-85 -98.57 132.84 43.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 57.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.616 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -55.84 114.72 2.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -60.73 -0.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.571 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 15.9 m -110.98 151.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 1.208 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.6 t -88.07 172.17 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.745 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.0 p -79.85 166.34 41.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.745 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.0 162.1 93.54 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.033 0.024 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.595 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 17.1 m-30 -107.93 128.21 54.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -111.81 113.69 26.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.787 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.8 pt-20 -77.27 137.1 38.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 58.5 t-105 -155.55 140.59 12.22 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.047 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.742 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.607 HG13 ' HB1' ' A' ' 19' ' ' ALA . 8.4 tt -103.72 112.35 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 mt -88.06 117.42 26.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -13.27 10.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -79.82 -17.41 53.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.22 37.76 12.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.99 -175.15 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 22' ' ' ALA . 16.6 t -115.71 102.02 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.047 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 23.5 t80 -36.72 126.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.544 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 60.3 p -100.72 45.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.696 ' HA2' ' CE2' ' A' ' 68' ' ' TYR . . . 65.52 154.73 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.619 1.2 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 1.04 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 136.78 -140.62 11.61 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 74' ' ' GLY . 1.3 m -124.89 73.65 64.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.408 0.711 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.755 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 41.32 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.661 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -59.25 114.54 6.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.797 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . 149.03 -64.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.51 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 10.2 m-20 -122.83 118.46 28.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.713 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -141.45 142.64 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.981 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 9.3 m -114.29 148.0 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.316 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 71.8 t -128.95 110.7 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.3 p90 -120.33 -169.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.208 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -127.95 -171.02 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.703 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 2.9 tt0 -88.7 17.48 5.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.849 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.47 -19.35 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.713 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 102.48 25.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.734 HE21 ' ND2' ' A' ' 83' ' ' ASN . 44.4 mt-30 -113.82 117.16 30.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.862 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 1.5 tt -102.74 146.5 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.834 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -152.18 -38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 1.316 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.27 54.46 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.977 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.4 t -83.88 34.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.863 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.67 174.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.797 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.9 148.39 10.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.629 ' O ' ' N ' ' A' ' 94' ' ' GLY . 12.9 m-70 -70.55 1.41 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.575 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -29.75 88.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.388 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.54 39.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.642 ' C ' ' H ' ' A' ' 97' ' ' GLY . . . -52.56 171.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.795 ' N ' HD22 ' A' ' 99' ' ' ASN . 13.0 t -62.82 8.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.642 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 152.3 -121.67 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.4 t-20 -92.85 1.49 57.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.795 HD22 ' N ' ' A' ' 96' ' ' SER . 7.1 p30 -66.31 -165.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.863 ' CD1' HG13 ' A' ' 90' ' ' ILE . 40.4 m-85 -139.79 171.33 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 27.8 m -160.79 125.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 1.4 pt-20 -55.08 123.57 14.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 96.3 m -51.09 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 108.242 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.685 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -41.26 -28.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.737 ' CD1' HG22 ' A' ' 89' ' ' VAL . 69.4 m-85 -139.9 110.38 6.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.566 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.4 m -118.6 103.43 9.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 24.9 m -78.7 67.79 4.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.58 -47.05 3.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.5 p -160.99 48.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.831 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.8 -166.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 47.7 t -171.8 76.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.897 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.5 m-85 -90.98 47.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -25.13 149.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.7 p -38.24 -24.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.2 t -82.07 -24.49 35.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.897 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.36 -28.92 31.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.668 ' CG2' ' CD2' ' A' ' 4' ' ' TYR . 69.1 t -76.24 -66.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 39.7 t -37.81 -49.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -52.44 53.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.529 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -60.85 -43.4 98.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.638 ' NE2' ' HB3' ' A' ' 86' ' ' LEU . 7.6 mt-30 -59.44 -55.16 38.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.01 -38.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -74.07 -53.04 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.634 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.46 -39.84 37.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.793 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 5.8 t80 -75.1 -73.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.41 -50.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.797 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 56.6 tp -67.42 -36.88 82.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.837 ' CD2' ' CE2' ' A' ' 57' ' ' TYR . 9.8 t60 -64.55 -45.19 88.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.653 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -25.46 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 55.3 m-20 -80.86 -22.16 40.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.21 78.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.606 ' CB ' HD13 ' A' ' 26' ' ' LEU . 4.0 mm-40 -97.12 178.3 5.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.581 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 62.5 p -132.09 176.42 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.873 ' CG2' ' CE2' ' A' ' 68' ' ' TYR . 3.4 m -134.98 152.98 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.81 -154.94 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -97.75 45.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.638 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -139.74 -166.63 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 39' ' ' PRO . 4.5 p -118.68 38.52 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.638 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -93.27 147.14 33.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.634 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -75.0 -170.57 8.39 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.033 -0.03 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.628 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 26.5 p80 178.26 170.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 4.3 ttmt -50.47 169.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.709 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 17.7 t80 -153.06 11.92 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -6.42 85.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.772 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p-10 -53.3 167.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -177.0 -43.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.52 -20.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.95 57.28 0.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.745 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 84.1 m-85 -101.17 139.36 36.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.84 75.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.214 -179.884 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.745 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 17.8 m-30 -80.71 120.2 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.5 p -81.02 22.32 0.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.83 HG12 ' O ' ' A' ' 86' ' ' LEU . 34.3 m -127.53 156.87 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.716 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -94.75 142.88 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.759 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -52.54 169.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.825 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.7 Cg_endo -74.95 152.43 98.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.065 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' TYR . 23.3 m-85 -92.45 110.87 22.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.007 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -94.96 129.46 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.647 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.0 pp20? -92.95 141.03 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.911 ' O ' ' N ' ' A' ' 78' ' ' VAL . 59.3 t-105 -162.07 138.97 6.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.177 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 154.53 42.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.574 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 18.1 tt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 68' ' ' TYR . 90.9 mt -94.21 120.48 34.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.2 t -59.57 -12.52 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.27 -16.93 41.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.942 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.42 35.71 13.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.28 -171.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' SER . 5.3 t -109.03 107.33 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.177 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 1.1 t80 -43.39 93.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.492 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 78.3 p -123.46 48.2 1.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.944 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.87 -52.42 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.478 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 102.75 24.99 7.84 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.629 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.45 52.52 2.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.629 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.0 -56.08 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.68 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . 27.72 87.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.976 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 147.11 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.781 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.0 m-20 -70.26 134.05 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.918 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -155.02 131.01 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -102.12 130.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.107 ' O ' ' N ' ' A' ' 87' ' ' ALA . 81.9 t -110.78 131.65 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.391 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 1.007 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -142.33 -176.08 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.271 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -128.8 -117.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.93 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 1.271 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 47.1 tt0 -29.74 -56.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.793 ' HB3' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -171.81 -89.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.486 ' N ' HD21 ' A' ' 83' ' ' ASN . 7.1 p30 -79.66 18.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.255 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 41.0 mm-40 -90.04 45.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.83 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -37.46 137.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.107 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -87.02 -33.64 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.558 ' CA ' HD13 ' A' ' 86' ' ' LEU . . . 169.01 -146.77 10.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.737 HG22 ' CD1' ' A' ' 4' ' ' TYR . 24.6 t -143.32 88.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.807 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.631 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 0.9 OUTLIER -82.16 161.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.976 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -157.15 150.89 24.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.9 m170 -74.16 -5.93 44.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -34.16 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.8 42.82 0.05 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.571 1.17 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.635 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -62.98 -10.29 13.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 0.838 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.4 t 97.65 46.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.21 -131.03 8.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.9 t-20 -96.14 5.31 51.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.53 ' ND2' ' C ' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -67.28 169.96 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.362 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.631 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 28.6 m-85 -121.76 167.69 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.623 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.4 m -162.71 132.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -59.33 123.17 15.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 64.3 m -55.7 -166.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.365 -179.97 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.517 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.13 -27.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.871 ' CD1' ' CG2' ' A' ' 89' ' ' VAL . 94.0 m-85 -139.74 113.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 1.15 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -123.08 104.93 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.082 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.5 m -79.34 62.99 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.37 -49.61 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 8' ' ' SER . 2.0 p -152.82 48.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.783 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -125.0 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 39.4 t -172.76 76.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.294 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.846 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 16.5 m-85 -90.05 51.92 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.793 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -29.75 152.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -39.11 -22.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.6 t -83.07 -25.25 32.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.846 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -84.36 -22.73 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.841 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 41.9 t -76.56 -70.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' VAL . 33.0 t -37.4 -45.91 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.15 -54.3 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.583 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -44.1 96.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.634 ' HG2' HD11 ' A' ' 86' ' ' LEU . 6.9 mt-30 -55.75 -57.16 13.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -33.73 -33.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -86.02 -47.02 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.27 -43.71 98.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -72.27 -65.03 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 110.978 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -38.33 -56.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.679 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 13.9 tp -61.68 -36.66 81.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 27.9 t60 -64.06 -48.02 77.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 109.652 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -61.87 -24.55 67.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -86.31 -20.26 28.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.33 23.05 78.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.595 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 20.3 mm-40 -102.11 178.59 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 110.195 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.586 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.7 p -126.47 -171.76 2.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.791 HG23 ' CE2' ' A' ' 68' ' ' TYR . 28.1 m -133.42 131.02 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.829 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.71 79.88 0.0 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.878 ' HB2' ' N ' ' A' ' 71' ' ' GLY . 43.1 t 178.17 -94.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.716 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 52.2 m-20 -121.91 -162.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . 8.6 p -83.93 31.69 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.716 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -82.9 146.06 51.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.572 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.5 Cg_endo -75.0 179.85 29.2 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.005 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.664 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 26.2 p80 -179.52 167.56 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.57 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -43.46 166.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.699 ' O ' ' C ' ' A' ' 43' ' ' ASN . 31.4 t80 -148.21 11.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -3.48 85.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.36 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p-10 -60.54 166.72 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -170.02 -43.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 16.8 mt-10 -39.37 -23.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 112.22 58.73 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.752 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 86.9 m-85 -101.29 134.39 44.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 0.767 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.63 58.19 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.1 m-30 -56.35 112.33 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.44 0.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.588 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 17.9 m -110.58 150.78 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.953 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 74.2 m -86.83 171.09 11.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.719 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 8.9 p -79.23 164.82 52.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.744 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -75.02 171.03 70.18 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.991 0.023 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.725 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.9 m-30 -115.08 126.2 54.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.939 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.2 m-30 -110.21 119.8 40.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.664 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.7 pt-20 -78.53 139.56 38.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.791 ' CZ3' ' CD2' ' A' ' 68' ' ' TYR . 58.1 t-105 -164.72 139.77 4.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.032 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 148.44 35.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.583 HG13 ' CB ' ' A' ' 19' ' ' ALA . 10.9 tt -114.0 130.56 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 66' ' ' ASP . 20.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -69.45 0.53 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -96.9 -13.32 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.67 40.06 9.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 1.4 m-20 -114.18 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.486 HG23 ' CB ' ' A' ' 22' ' ' ALA . 3.9 t -122.47 106.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.032 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -44.83 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.637 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 83.3 p -97.09 -5.65 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.829 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -132.91 148.92 19.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.878 ' N ' ' HB2' ' A' ' 35' ' ' SER . . . -69.94 43.71 0.51 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.671 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 92.7 p -142.34 50.3 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.752 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.06 -83.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 165.62 161.25 14.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.751 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.42 -33.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.48 ' CG ' ' HH ' ' A' ' 11' ' ' TYR . 2.6 m-20 -67.15 124.66 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.752 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 1.1 mmt180 -141.26 144.24 34.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.95 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 4.1 m -114.52 150.21 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.303 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 98.6 t -132.25 114.09 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.939 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.5 p90 -119.69 -155.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.953 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.83 -163.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.784 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 55.2 tt0 -92.46 4.93 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.072 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -95.46 -23.22 17.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.38 21.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.072 HE21 ' ND2' ' A' ' 83' ' ' ASN . 34.1 mt-30 -107.51 115.19 29.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.922 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 3.5 tt -99.95 152.74 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.893 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -159.52 -42.38 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 1.303 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -51.15 56.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 1.081 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.5 t -83.47 33.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.903 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.39 175.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.751 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -162.94 148.52 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.664 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.3 m-70 -74.21 11.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -50.0 83.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.446 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.6 36.44 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.711 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -51.58 -33.57 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.725 ' N ' HD22 ' A' ' 99' ' ' ASN . 14.7 t 137.05 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.48 -117.85 4.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.2 t-20 -95.39 -7.51 38.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 0.787 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.725 HD22 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.88 156.19 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.903 ' CD1' HG13 ' A' ' 90' ' ' ILE . 23.0 m-85 -111.06 169.03 9.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.662 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 27.7 m -163.79 127.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.565 ' O ' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -48.37 130.9 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.15 ' O ' ' O ' ' A' ' 5' ' ' THR . 44.9 m -59.51 -7.29 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.286 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.726 ' OG1' ' O ' ' A' ' 103' ' ' CYS . 2.6 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.527 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -39.67 -28.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.866 ' HB3' HG12 ' A' ' 89' ' ' VAL . 94.4 m-85 -136.22 114.08 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.698 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.9 m -125.78 104.94 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.8 m -80.61 66.43 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.48 -51.7 4.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.6 p -152.55 48.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.049 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.753 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -122.92 -167.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 44.5 t -170.9 74.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.879 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 22.4 m-85 -88.37 45.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.804 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -27.6 151.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 62.3 p -38.83 -22.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -82.3 -24.97 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.879 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.91 -28.11 28.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.759 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 40.8 t -69.51 -67.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.516 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.8 t -40.43 -52.06 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.46 -54.29 7.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.583 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -58.75 -44.07 90.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.712 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 3.3 mt-30 -53.85 -57.37 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.27 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' CB ' ' CG2' ' A' ' 67' ' ' VAL . . . -85.12 -46.94 10.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.5 -44.22 97.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -74.32 -63.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 5.9 tptm -38.58 -58.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.563 ' CD2' ' HD3' ' A' ' 39' ' ' PRO . 49.0 tp -60.58 -32.22 71.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 37.7 t60 -70.49 -52.24 23.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -53.66 -27.88 29.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -84.8 -14.78 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.79 23.66 77.69 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.056 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' C ' HD13 ' A' ' 26' ' ' LEU . 6.7 mm-40 -107.43 172.8 6.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.551 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p -132.98 163.82 28.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.707 ' HB ' ' C ' ' A' ' 69' ' ' SER . 3.5 m -83.56 123.35 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.954 ' O ' ' HB2' ' A' ' 35' ' ' SER . . . -36.37 105.66 0.03 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 1.147 ' HB3' ' N ' ' A' ' 71' ' ' GLY . 0.3 OUTLIER 152.22 -64.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.991 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.712 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -126.49 -157.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.459 ' HA ' HG22 ' A' ' 32' ' ' THR . 51.6 p -109.36 37.98 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.065 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.712 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -94.3 145.88 30.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.585 ' HB3' ' HB2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.06 -170.04 7.92 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.952 0.064 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.621 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.8 p80 179.17 168.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.0 OUTLIER -51.98 159.26 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.795 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 21.0 t80 -151.58 -64.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 111.06 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.859 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 81.94 -99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.859 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 3.3 p-10 149.82 174.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 178.52 -47.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.676 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt-10 -45.92 -16.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.43 54.06 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.874 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 97.3 m-85 -94.37 135.41 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 58.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.712 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.5 m-30 -56.32 109.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.2 p -60.64 0.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.568 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 17.8 m -111.94 151.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 1.265 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 49.4 m -88.11 176.56 7.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.688 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 23.1 p -77.74 162.12 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.785 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -74.97 173.73 56.33 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.978 -0.001 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.817 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 12.7 m-30 -119.78 113.84 21.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 21.0 m-30 -102.74 120.88 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.699 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -79.91 140.39 36.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.97 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 43.5 t-105 -163.01 144.84 7.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 107.989 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.97 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.06 143.99 29.5 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 11' ' ' TYR . 7.4 tt -110.76 114.92 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.82 120.03 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -56.18 -14.57 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -11.83 48.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.34 36.6 38.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -111.21 -172.92 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.544 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 53.7 t -108.38 113.75 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.858 ' HH ' ' C ' ' A' ' 71' ' ' GLY . 10.5 t80 -40.11 167.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.053 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.707 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 71.2 p -104.68 -27.44 11.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 110.002 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 1.087 ' C ' ' HB3' ' A' ' 35' ' ' SER . . . 126.48 159.75 10.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 1.147 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 86.79 -131.55 10.62 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.563 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.1 p -90.93 102.34 5.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 109.958 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.88 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.5 Cg_endo -74.95 -10.04 21.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.24 -103.62 0.66 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.684 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -138.25 -47.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 0.715 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.539 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.28 128.03 34.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.633 ' HD3' ' HG2' ' A' ' 73' ' ' PRO . 1.5 mmt-85 -143.08 149.61 38.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.933 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 3.5 m -119.37 148.49 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 1.253 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 85.6 t -131.81 118.05 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -123.53 -158.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.265 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -135.15 -167.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.564 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 18.5 tt0 -89.43 8.65 29.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.079 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -98.22 -24.36 15.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.729 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 108.72 19.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.079 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.8 mt-30 -105.7 111.26 23.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.892 ' CD2' ' HB ' ' A' ' 78' ' ' VAL . 3.7 tp -102.39 143.62 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.065 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -149.59 -45.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 1.253 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -39.65 57.44 0.0 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 1.065 ' N ' ' O ' ' A' ' 87' ' ' ALA . 1.7 t -82.06 35.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.874 ' CG2' ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -65.47 173.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.684 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.92 153.64 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.663 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.6 m170 -75.69 12.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.659 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -50.83 88.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.47 42.02 0.08 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.655 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.88 -8.55 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.8 t 100.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.419 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 120.33 -131.89 9.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.098 . . . . 0.0 110.949 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -95.89 12.56 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.614 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -73.64 167.26 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.844 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.8 m-85 -120.27 165.45 14.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.66 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 34.7 m -162.91 124.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 1.0 OUTLIER -52.1 122.31 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.7 m -49.86 176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 5' ' ' THR . 81.0 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.499 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.499 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -130.97 -4.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.696 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 79.6 m-85 -137.6 89.36 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.491 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 8.2 m -99.1 103.74 15.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.0 m -81.51 65.14 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.367 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 -55.19 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.602 1.189 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 8.3 p -133.08 54.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 109.984 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.696 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -141.78 -175.31 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.35 62.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.348 -179.921 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -130.14 96.8 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.499 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 28.3 p -62.87 -177.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -54.04 -16.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -82.4 -29.71 30.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.69 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.83 -40.24 18.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.561 ' CG1' ' CD1' ' A' ' 86' ' ' LEU . 94.3 t -55.91 -48.52 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.564 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.7 t -36.3 -53.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -52.15 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.361 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.452 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -59.16 -41.99 89.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.691 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 11.8 mt-30 -60.44 -56.22 24.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.88 -36.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -73.27 -54.58 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -52.79 -42.68 59.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.676 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 9.3 t80 -68.82 -66.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -33.18 -57.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.664 HD23 ' C ' ' A' ' 32' ' ' THR . 3.8 tp -62.81 -38.64 91.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.824 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.7 t60 -63.08 -48.33 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.654 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -59.67 -28.69 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.25 -16.38 35.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 22.98 75.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 8.4 mm-40 -100.3 178.51 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.664 ' C ' HD23 ' A' ' 26' ' ' LEU . 34.6 p -126.21 -177.33 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.693 HG22 ' CH2' ' A' ' 59' ' ' TRP . 4.0 m -134.97 125.84 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.57 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 79.36 -144.5 27.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -97.11 -13.65 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.567 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.9 m-20 -79.51 -166.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 p -125.13 45.69 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.6 m-85 -98.39 147.54 33.27 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.557 ' HD3' HD21 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -171.42 9.37 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.941 0.069 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -178.96 161.93 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.622 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 42' ' ' TYR . 1.3 tttm -41.29 162.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.706 ' O ' ' C ' ' A' ' 43' ' ' ASN . 14.5 t80 -148.69 11.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -4.79 86.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.754 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -55.08 164.31 0.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.97 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 11.2 mt-10 -43.77 -20.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.64 56.06 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.677 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 92.5 m-85 -103.41 134.59 46.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.67 68.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.655 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 21.3 m-30 -69.0 121.27 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -77.09 21.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.658 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 12.9 m -127.57 147.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 54' ' ' SER . 51.1 m -85.54 135.97 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.737 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -41.07 166.78 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 1.127 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.01 175.52 47.5 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.021 0.055 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 42' ' ' TYR . 22.4 m-85 -115.22 109.01 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.947 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.4 m-30 -95.22 120.55 35.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.704 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.36 122.26 32.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.961 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 45.5 t-105 -137.17 147.15 57.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.961 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 153.85 41.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 16.6 tt -121.56 114.88 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.378 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.436 HD13 ' N ' ' A' ' 68' ' ' TYR . 25.7 mt -86.4 123.51 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.93 -2.6 5.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -95.66 -15.97 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.04 39.56 9.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 1.2 m-20 -113.27 -173.05 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 11.9 t -115.5 104.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.209 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.859 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 18.3 t80 -44.55 103.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.491 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 24.9 p -112.04 43.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.669 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -140.59 -160.58 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.604 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -112.65 -23.63 5.29 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -121.35 90.14 47.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.744 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.08 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.571 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 168.02 175.0 37.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.721 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -49.56 -49.5 46.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 0.825 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.582 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 5.9 m-20 -57.71 126.05 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.744 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.62 145.77 27.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.846 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -112.7 135.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.5 t -114.03 136.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.947 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.7 p90 -153.07 161.08 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.301 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.55 -109.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 1.301 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 2.2 tt0 -37.49 -63.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.158 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -163.9 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.888 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.9 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.9 23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.418 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -84.1 30.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.373 179.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.691 ' HB2' ' CD ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -27.82 114.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.962 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.33 -37.07 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.532 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 165.19 -140.12 6.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.761 ' O ' ' N ' ' A' ' 103' ' ' CYS . 79.8 t -144.41 90.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.53 ' CG1' ' HB2' ' A' ' 77' ' ' ARG . 1.3 pt -84.83 165.23 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.721 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.98 153.16 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.732 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 7.8 m170 -83.15 14.28 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -49.3 84.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.409 1.068 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.714 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -52.12 -36.65 51.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.76 ' N ' HD22 ' A' ' 99' ' ' ASN . 12.0 t 138.02 40.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.42 -117.87 4.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.1 t-20 -93.92 -9.82 35.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.737 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.76 HD22 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -60.54 148.09 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.732 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 19.3 m-85 -104.92 168.47 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.632 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 30.9 m -163.29 136.57 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.619 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.09 126.3 26.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.5 m -54.79 -167.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.998 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -129.54 -6.04 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.71 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 90.1 m-85 -134.39 87.61 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.473 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 12.3 m -97.4 102.42 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.8 m -80.75 64.33 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.12 -54.41 0.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.429 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 13.9 p -131.15 53.65 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.759 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.708 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -142.95 -175.49 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.13 60.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.71 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -127.05 99.56 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -64.58 178.6 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.977 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.481 ' N ' ' OG ' ' A' ' 12' ' ' SER . 26.4 p -50.91 -17.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.6 t -81.65 -29.43 33.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.936 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.686 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.74 -40.38 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.564 ' CG1' ' CD1' ' A' ' 86' ' ' LEU . 95.8 t -56.31 -47.04 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.535 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.3 t -36.38 -52.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.5 -54.85 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -58.21 -42.32 85.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.716 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 12.8 mt-30 -59.35 -54.69 43.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.37 -38.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 67' ' ' VAL . . . -74.29 -52.16 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.611 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.01 -40.29 58.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.679 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.6 t80 -73.39 -71.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -34.56 -52.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.833 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 9.4 tp -65.88 -38.45 88.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.9 t60 -63.5 -44.74 93.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.641 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.37 -26.87 68.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 6.3 m-20 -83.29 -20.92 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.99 23.93 70.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.571 1.169 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.702 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 3.7 mm-40 -99.96 177.58 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 69.4 p -130.73 179.08 6.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.833 ' CG1' ' CD2' ' A' ' 26' ' ' LEU . 3.0 m -136.63 129.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.73 -147.06 29.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.7 m -96.75 -12.57 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.604 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.2 m-20 -80.21 -164.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.378 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.5 p -123.88 43.59 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.604 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.27 145.33 29.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.611 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.4 Cg_endo -74.99 -174.42 14.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.057 -0.025 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.743 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 29.9 p80 178.53 167.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.595 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.34 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.804 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 20.9 t80 -152.99 13.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.691 ' C ' ' O ' ' A' ' 42' ' ' TYR . 8.9 m-20 -4.81 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.744 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -58.27 170.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.744 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -178.04 -43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.946 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.2 mp0 -41.64 -22.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.77 57.8 0.31 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.713 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 87.8 m-85 -101.78 137.67 39.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.83 71.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.67 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 20.4 m-30 -75.0 115.38 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.9 p -75.33 21.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.682 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 16.1 m -128.67 149.27 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.7 m -89.11 134.82 33.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.794 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -43.44 173.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.937 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.07 149.62 94.01 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.99 0.038 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 42' ' ' TYR . 24.9 m-85 -90.0 114.26 26.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -97.63 119.98 37.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.804 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -87.75 126.08 34.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.057 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.3 t-105 -143.6 148.73 44.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.057 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.96 156.22 43.14 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.517 HG13 ' HB1' ' A' ' 19' ' ' ALA . 12.6 tt -123.59 119.02 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 68' ' ' TYR . 28.7 mt -91.65 119.43 31.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -64.38 -5.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -16.63 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.32 37.63 9.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 57.0 m-20 -111.53 -170.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 22' ' ' ALA . 4.4 t -118.99 106.53 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.362 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.898 ' OH ' ' HA2' ' A' ' 71' ' ' GLY . 5.7 t80 -43.74 137.79 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.764 ' O ' ' O ' ' A' ' 70' ' ' GLY . 55.8 p -123.97 -67.29 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.764 ' O ' ' O ' ' A' ' 69' ' ' SER . . . -44.81 -155.26 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.898 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -116.91 -10.14 10.23 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.7 p -116.03 81.69 10.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.712 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.1 Cg_endo -75.04 -56.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 145.01 169.38 13.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.75 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -49.1 -45.66 43.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.603 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 6.7 m-20 -59.13 125.62 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.712 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.93 145.19 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.795 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -109.4 141.77 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.945 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.4 t -120.16 135.45 60.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -152.38 162.26 41.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.288 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.53 -110.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 1.288 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 1.6 tt0 -36.93 -63.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.156 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -163.45 -78.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.915 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.98 23.87 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.408 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.96 31.42 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.716 ' HB2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -28.01 114.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.945 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.37 -36.46 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.535 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 164.39 -136.32 4.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.759 ' O ' ' N ' ' A' ' 103' ' ' CYS . 70.1 t -147.79 91.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.671 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 1.4 pt -85.17 164.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.75 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.29 146.2 11.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.633 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 7.9 m170 -71.5 22.02 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -44.32 86.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.568 ' C ' ' H ' ' A' ' 97' ' ' GLY . . . -46.27 170.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.731 ' N ' HD22 ' A' ' 99' ' ' ASN . 13.2 t -68.48 11.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 156.11 -124.36 1.46 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -92.43 1.09 57.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.22 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.731 HD22 ' N ' ' A' ' 96' ' ' SER . 6.9 p30 -64.1 -162.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.671 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 42.4 m-85 -141.54 172.81 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.588 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 27.6 m -161.07 133.15 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.1 OUTLIER -58.83 126.11 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.05 -162.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.749 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.471 ' N ' ' HB3' ' A' ' 12' ' ' SER . 9.7 m-20 -137.41 -5.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.661 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 85.6 m-85 -133.89 94.41 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.536 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 11.5 m -100.89 104.81 16.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.0 m -81.49 64.61 6.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.11 -54.13 1.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.426 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 19.4 p -133.12 52.12 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.74 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.09 -175.28 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.749 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.0 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.28 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.71 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -125.47 99.23 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.471 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 64.2 p -63.49 178.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.72 -16.79 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.81 -29.41 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.681 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.93 -39.42 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.575 ' CG1' ' CG2' ' A' ' 78' ' ' VAL . 88.0 t -56.52 -47.27 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.525 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 10.8 t -37.56 -50.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -49.8 -56.12 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.436 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.525 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -56.77 -42.95 80.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.667 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.4 mt-30 -57.21 -54.95 41.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.1 -37.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.212 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB3' HG23 ' A' ' 67' ' ' VAL . . . -74.01 -53.53 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.543 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.63 -40.15 39.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.157 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.771 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 7.2 t80 -72.46 -72.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 36.8 tptt -35.8 -51.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.721 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 13.5 tp -67.67 -35.36 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.807 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 17.4 t60 -66.88 -45.68 77.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.643 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.85 -23.09 65.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 56.2 m-20 -84.26 -22.05 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.08 23.32 71.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.691 ' CB ' ' CD1' ' A' ' 26' ' ' LEU . 3.2 mm-40 -97.7 178.58 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.591 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 82.7 p -136.08 170.4 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.857 ' CG2' ' CE2' ' A' ' 68' ' ' TYR . 3.1 m -133.68 136.14 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.482 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.6 -150.41 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 m -98.87 0.14 43.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.628 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.9 m-20 -94.25 -165.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.2 p -121.79 42.07 3.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.628 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-30 -92.82 148.41 35.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.639 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.96 -172.8 11.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.016 -0.054 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.627 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 -177.74 171.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.546 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.502 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -53.66 168.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.703 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -160.11 -25.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.849 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-80 51.94 -107.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.849 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.4 p-10 153.67 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.05 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 111.066 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.618 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.96 -20.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.49 59.34 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.368 1.043 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.821 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 82.5 m-85 -100.59 136.81 39.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 66.2 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.821 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -70.74 101.58 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -73.14 24.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.663 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 13.4 m -128.17 148.12 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 54' ' ' SER . 7.0 t -85.34 136.56 33.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.172 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.719 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.2 p -41.72 165.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 1.073 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.04 175.89 45.89 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.927 0.147 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 19.7 m-85 -116.38 105.92 13.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.912 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.4 m-30 -92.22 144.94 24.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.703 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -109.22 134.34 51.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 32.6 t-105 -156.45 141.23 12.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.152 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.1 148.62 35.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.525 HG13 ' CB ' ' A' ' 19' ' ' ALA . 4.3 tt -114.16 116.65 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.72 120.77 26.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 p -57.63 -13.93 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.021 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.59 -18.2 39.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.64 34.44 13.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.91 -174.05 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 22' ' ' ALA . 25.1 t -105.15 106.42 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.152 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -42.63 112.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.974 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 p -102.19 -73.33 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' SER . . . -55.88 123.78 31.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.482 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.64 65.41 0.11 Allowed Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.718 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.3 t -149.29 47.8 0.52 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.718 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.04 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.661 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . 20.97 92.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.43 1.081 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.052 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.35 -85.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.254 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 50.4 m-20 -93.1 131.17 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.921 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -151.83 137.34 17.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.859 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.52 129.23 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.976 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.6 t -101.77 137.99 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.8 p90 -153.33 162.45 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.316 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.2 -107.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 1.316 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 30.1 tt0 -39.32 -63.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.237 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.159 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.55 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.89 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.54 22.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.443 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.64 33.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.667 ' HB2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -30.29 114.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.976 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.04 -37.39 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.505 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 170.98 -147.85 10.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.787 ' O ' ' N ' ' A' ' 103' ' ' CYS . 88.8 t -139.12 84.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.588 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -82.74 164.41 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 1.052 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -159.97 158.7 31.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.918 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CE1' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m170 -80.3 -12.93 59.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.548 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -33.76 103.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 35.06 40.5 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.679 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -68.97 58.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 95' ' ' ALA . 0.7 OUTLIER 29.68 35.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.65 -128.33 5.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.5 t-20 -98.99 1.22 45.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.681 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 0.7 OUTLIER -62.72 179.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 28.7 m-85 -123.23 159.99 27.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.598 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 23.8 m -160.12 133.97 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.2 OUTLIER -52.3 125.63 16.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -53.33 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 108.388 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 52.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.506 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.492 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -127.5 -7.15 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.726 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 79.1 m-85 -134.08 84.04 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.476 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 10.2 m -93.47 103.24 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.9 m -81.39 63.11 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.15 -54.61 1.08 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.441 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 17.4 p -131.45 52.74 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.716 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -141.37 -175.04 4.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.36 60.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 108.339 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.726 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -127.92 96.75 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.954 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.492 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 44.1 p -65.2 -178.14 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.4 p -52.11 -17.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -81.07 -30.17 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.712 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.07 -43.59 16.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.556 ' HB ' ' CD1' ' A' ' 86' ' ' LEU . 92.6 t -53.95 -48.52 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.608 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 41.6 t -37.17 -55.5 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.78 -49.73 27.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -61.91 -41.64 98.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.773 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 13.9 mt-30 -59.34 -55.68 31.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.77 -36.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.516 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . -75.34 -52.77 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.595 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.61 -40.31 47.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.585 1.178 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 6.4 t80 -74.18 -71.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TYR . 41.9 tptt -35.32 -50.87 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.731 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 11.2 tp -68.3 -35.95 78.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 20.0 t60 -65.89 -44.68 84.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.651 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.17 -28.47 69.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 7.6 m-20 -81.45 -19.43 42.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.48 22.92 76.69 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.689 ' CB ' ' CD1' ' A' ' 26' ' ' LEU . 4.8 mm-40 -97.03 179.59 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 67.1 p -134.82 175.39 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.751 ' CG2' ' CE2' ' A' ' 68' ' ' TYR . 4.5 m -131.87 162.36 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 51.44 -152.58 5.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -99.34 22.47 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.664 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -114.3 -165.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.228 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -120.55 40.37 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.664 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -94.25 150.05 37.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.08 -170.16 8.03 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.975 -2.511 . . . . 0.0 110.956 0.061 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.731 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.3 p80 179.18 170.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -47.66 168.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.697 ' O ' ' C ' ' A' ' 43' ' ' ASN . 37.9 t80 -151.15 12.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.697 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -8.03 87.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.779 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -58.63 170.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.13 -42.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -42.46 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 117.94 56.11 0.29 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.648 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 79.7 m-85 -103.62 132.11 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.75 72.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.648 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 21.3 m-30 -74.86 116.57 15.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.6 p -74.0 27.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.682 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 13.1 m -133.91 147.57 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.374 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 54' ' ' SER . 58.1 m -88.69 134.97 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.85 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -43.55 172.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.943 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -75.07 151.07 96.35 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.078 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' TYR . 25.6 m-85 -90.97 113.42 25.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.7 m-30 -97.03 124.87 41.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.731 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -89.85 134.24 34.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.751 ' O ' ' N ' ' A' ' 78' ' ' VAL . 59.1 t-105 -153.42 137.32 10.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.203 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 149.01 36.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.558 1.82 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 11' ' ' TYR . 8.3 tt -113.68 123.17 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.4 mt -90.6 116.76 28.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -53.11 -18.48 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.17 -16.77 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.72 33.47 21.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -109.63 -174.09 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 22' ' ' ALA . 18.1 t -105.31 107.88 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 1.203 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 7.1 t80 -40.52 94.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.454 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 14.4 p -119.91 21.87 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.392 1.057 . . . . 0.0 110.002 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.513 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -101.83 -75.58 1.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 122.6 33.5 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.799 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -141.28 42.3 0.46 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.98 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.799 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -75.04 -101.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.953 ' C ' ' HE ' ' A' ' 77' ' ' ARG . . . 83.38 -83.18 1.62 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.717 ' O ' ' HG2' ' A' ' 77' ' ' ARG . . . -44.46 -103.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.972 ' O ' ' CD ' ' A' ' 77' ' ' ARG . 59.0 m-20 -58.46 127.03 30.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.972 ' CD ' ' O ' ' A' ' 76' ' ' ASP . 5.9 mmt180 -155.78 140.07 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.751 ' N ' ' O ' ' A' ' 59' ' ' TRP . 2.4 m -109.46 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.397 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.927 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.9 t -123.2 139.51 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -153.85 162.85 40.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.296 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.12 -112.15 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 1.296 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 35.7 tt0 -35.68 -62.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.192 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.38 -78.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.902 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.59 21.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.445 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -81.28 27.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.773 ' HB2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -24.26 117.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.927 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.26 -42.51 62.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.38 -139.08 5.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.426 1.079 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.765 ' O ' ' N ' ' A' ' 103' ' ' CYS . 89.7 t -147.16 91.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.775 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -85.76 165.79 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.12 158.0 24.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.56 ' H ' ' HA ' ' A' ' 75' ' ' ALA . 19.4 m170 -83.08 1.61 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.523 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -38.83 91.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.17 41.53 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.422 1.076 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.628 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -63.25 -9.37 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.1 t 97.06 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.18 -131.43 9.05 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.22 3.4 54.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.535 ' ND2' ' C ' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -64.39 159.69 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.775 ' CD1' HG13 ' A' ' 90' ' ' ILE . 11.9 m-85 -114.91 161.76 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.617 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.0 m -161.3 134.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -52.89 125.09 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.7 m -55.6 -164.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 -179.985 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.696 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -42.32 -27.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.662 ' CD1' HG22 ' A' ' 89' ' ' VAL . 70.2 m-85 -137.45 104.16 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.569 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -115.02 103.56 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.8 m -79.17 65.83 4.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.69 -46.01 3.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.5 p -161.77 47.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.78 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.6 -165.67 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.39 1.056 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.696 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.82 77.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 108.325 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.928 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.3 m-85 -91.41 43.68 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.842 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.1 p -24.91 148.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.9 p -37.49 -24.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 12' ' ' SER . 28.7 t -81.7 -23.91 36.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.928 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -81.84 -31.14 31.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.659 ' CG1' ' CD1' ' A' ' 86' ' ' LEU . 57.3 t -74.57 -63.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.572 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 3.9 t -38.94 -51.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -50.84 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' CB ' HG13 ' A' ' 78' ' ' VAL . . . -61.04 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.594 ' OE1' HG13 ' A' ' 16' ' ' VAL . 16.7 mt-30 -58.02 -54.68 44.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.11 -41.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB1' ' CG2' ' A' ' 67' ' ' VAL . . . -73.57 -50.97 18.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.593 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.86 -40.35 57.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.708 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.9 t80 -73.99 -73.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.26 -51.79 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.776 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 53.8 tp -67.15 -36.82 82.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 12.3 t60 -64.34 -43.87 93.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.625 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.19 -26.88 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 60.9 m-20 -78.91 -23.39 44.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.95 19.03 75.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.603 ' CB ' HD13 ' A' ' 26' ' ' LEU . 4.3 mm-40 -97.17 175.86 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.663 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 11.7 p -130.26 177.16 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.776 ' CG1' ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -133.78 135.02 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 75.64 -145.65 33.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -97.96 -7.93 29.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.601 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -83.87 -166.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.9 p -123.43 41.3 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.663 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.3 m-85 -95.29 148.32 34.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.593 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -75.03 -173.15 11.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.916 -2.535 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.675 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 26.5 p80 179.78 171.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.63 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' CD ' ' ND2' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -54.22 168.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.917 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.774 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -160.29 -27.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.864 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 35.1 m-80 52.52 -105.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 109.365 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.864 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.3 p-10 152.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.805 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.43 -46.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.624 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.59 -19.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.03 56.32 0.46 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.602 1.189 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.776 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 85.3 m-85 -100.29 137.15 39.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.24 72.13 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.776 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.4 m-30 -77.1 101.83 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.446 ' C ' HG11 ' A' ' 52' ' ' VAL . 97.6 p -71.74 33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.641 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 22.2 m -137.23 149.56 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 54' ' ' SER . 3.4 m -85.97 130.84 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.792 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -42.37 171.29 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.956 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -74.88 153.16 99.02 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.982 -0.123 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 25.7 m-85 -94.2 111.76 23.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.904 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -94.48 147.26 23.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.675 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.7 pp20? -111.57 135.73 51.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.933 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 55.3 t-105 -154.41 143.81 15.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.933 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.02 152.29 40.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.545 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 15.2 tt -116.87 131.16 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.747 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 72.8 mt -94.5 122.86 37.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -61.51 -9.38 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.22 -11.66 37.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.82 34.29 27.94 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' C ' HD13 ' A' ' 62' ' ' LEU . 17.3 m-20 -114.77 -163.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.497 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 10.4 t -114.18 124.16 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.747 ' CE2' ' CD2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -72.43 102.88 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.951 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.576 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 31.6 p -98.96 -54.89 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.491 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -38.71 -41.84 1.31 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.66 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 85.6 34.88 12.6 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.792 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 46.3 t -125.71 42.63 0.8 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.733 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . 15.48 91.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.733 ' CB ' ' O ' ' A' ' 74' ' ' GLY . . . 140.68 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.63 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 13.0 m-20 -67.37 127.88 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.759 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -150.58 136.76 18.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.89 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -106.16 133.69 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.811 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.9 t -108.33 138.87 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.904 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -154.25 160.03 41.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.545 ' ND2' ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -99.18 -114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 1.363 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 0.8 OUTLIER -39.72 -60.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.197 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.68 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.881 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.3 p30 -81.71 20.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.545 ' CG ' ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -81.01 36.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.701 ' CD2' ' C ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -30.01 114.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.811 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -79.37 -40.18 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.483 ' N ' HD22 ' A' ' 86' ' ' LEU . . . 166.89 -143.31 8.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.7 ' O ' ' N ' ' A' ' 103' ' ' CYS . 36.8 t -147.35 91.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 0.794 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.648 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -83.73 163.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.852 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.74 158.68 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.401 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.745 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.5 m170 -90.44 -8.34 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.513 -179.935 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.09 -18.85 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.525 ' O ' ' CG2' ' A' ' 101' ' ' VAL . . . -125.83 34.57 3.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.62 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . . . -130.73 -44.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 77.03 55.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.428 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.37 -134.6 5.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.568 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -93.57 -10.96 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 0.728 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.68 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.01 157.56 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.745 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -121.0 162.04 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.619 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 32.7 m -161.21 134.08 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -56.5 123.46 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -55.52 -167.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.963 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.717 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER -135.15 -10.08 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.651 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 90.2 m-85 -129.23 95.72 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.506 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 20.3 m -103.15 103.93 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.3 m -81.94 67.12 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.71 -54.75 0.96 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.4 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 6.7 p -132.46 53.73 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.469 0.747 . . . . 0.0 109.996 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.756 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.1 m-80 -141.03 -176.64 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.717 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -176.78 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 108.283 179.946 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.706 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -124.77 100.15 6.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.427 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 79.6 p -63.73 178.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p -51.46 -17.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.28 -28.83 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.706 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.84 -41.49 17.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.581 ' CG1' ' CD1' ' A' ' 86' ' ' LEU . 98.2 t -55.28 -45.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.549 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 39.5 t -36.76 -50.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -50.42 -54.77 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.482 ' HB3' HG13 ' A' ' 61' ' ' ILE . . . -57.49 -41.9 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.69 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.7 mt-30 -57.94 -55.14 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.78 -36.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.539 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -74.92 -53.45 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.745 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.01 -40.5 43.41 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 8.8 t80 -72.76 -68.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -35.15 -55.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.585 ' CD2' ' HD3' ' A' ' 39' ' ' PRO . 20.6 tp -64.41 -34.33 77.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.861 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 26.5 t60 -67.35 -49.95 61.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -55.48 -27.47 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.18 -16.9 34.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.91 26.93 73.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.546 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 59.6 mm-40 -108.99 170.89 7.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.561 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 81.4 p -122.09 173.49 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.647 ' O ' ' C ' ' A' ' 34' ' ' GLY . 16.5 m -104.59 123.11 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.833 ' O ' ' OG ' ' A' ' 35' ' ' SER . . . -11.69 85.28 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.943 ' CB ' ' N ' ' A' ' 71' ' ' GLY . 51.6 m 154.99 -140.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' SER . 9.6 m-20 -49.94 -154.85 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.634 ' O ' ' O ' ' A' ' 39' ' ' PRO . 19.2 p -108.85 38.43 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.65 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -82.99 141.34 43.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.745 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -74.92 -177.62 21.0 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.634 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.9 p80 -176.25 166.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.612 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.15 168.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.709 ' O ' ' C ' ' A' ' 43' ' ' ASN . 18.9 t80 -151.79 12.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.709 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.5 m-80 -5.88 88.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.8 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.5 p-10 -60.05 176.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.8 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.07 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.964 179.94 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -42.37 -21.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 118.56 56.02 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.65 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 85.5 m-85 -100.32 132.21 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.84 69.62 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.647 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 21.2 m-30 -72.45 118.35 15.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -76.29 25.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.659 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 6.4 m -131.94 147.23 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.501 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.2 m -85.87 135.82 33.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.804 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 5.9 p -39.94 166.39 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 1.075 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -74.98 178.11 36.1 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.069 -0.082 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 42' ' ' TYR . 22.8 m-85 -117.92 107.81 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.975 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -95.02 123.31 38.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.7 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.5 pt-20 -93.45 125.93 38.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 1.11 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 32.4 t-105 -142.64 150.78 55.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 107.978 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 1.11 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.97 151.85 40.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' ' 19' ' ' ALA . 21.1 tt -119.27 113.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 68' ' ' TYR . 97.4 mt -84.23 118.77 24.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t -54.64 -14.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -87.64 -12.67 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.07 34.26 33.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -108.71 -170.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.22 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.539 HG21 ' HB1' ' A' ' 22' ' ' ALA . 39.6 t -114.17 112.05 38.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.683 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 10.3 t80 -41.79 158.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.453 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.5 p -98.36 -24.5 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.794 ' C ' ' OG ' ' A' ' 35' ' ' SER . . . 127.99 151.67 7.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.514 1.133 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.943 ' N ' ' CB ' ' A' ' 35' ' ' SER . . . 101.98 -138.79 14.09 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.645 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 52.9 m -90.27 99.33 1.87 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.96 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.3 Cg_endo -74.9 4.48 4.65 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.74 -102.09 1.45 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.707 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -141.77 -40.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 0.723 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.665 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 3.7 m-20 -62.4 132.02 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.665 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 15.6 mmt-85 -150.8 146.73 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.772 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.63 134.94 54.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.991 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -111.61 134.76 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.975 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -152.34 162.68 40.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 1.281 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.77 -107.13 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 1.281 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 24.4 tt0 -38.14 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 1.139 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.2 -77.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.901 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -86.68 23.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 1.432 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.54 29.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.69 ' HB2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -27.53 114.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.946 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.991 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -70.62 -38.45 73.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.485 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 168.92 -136.32 4.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.759 ' O ' ' N ' ' A' ' 103' ' ' CYS . 89.2 t -147.41 90.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.547 HD12 ' CG2' ' A' ' 79' ' ' VAL . 2.1 pt -85.99 165.36 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.707 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -155.54 147.31 23.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 -179.923 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.801 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.3 m170 -69.96 8.78 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.596 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.521 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -46.25 72.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.801 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 66.61 -55.58 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.781 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . 40.07 23.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 94' ' ' GLY . 6.9 t 70.27 18.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.072 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 148.34 -128.47 2.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.4 t-20 -95.76 7.86 45.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.781 ' ND2' ' O ' ' A' ' 95' ' ' ALA . 1.3 m-80 -66.07 -159.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.652 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 46.3 m-85 -141.99 165.78 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.638 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 21.6 m -163.73 135.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.607 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.05 125.93 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.341 179.93 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.8 m -55.51 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.342 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -36.7 125.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -125.56 -10.38 6.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.728 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 86.9 m-85 -131.18 88.11 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.447 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 7.4 m -99.17 107.93 20.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 12.4 m -84.11 64.63 8.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.36 -54.06 0.64 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.458 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 15.0 p -130.56 54.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 0.796 . . . . 0.0 109.952 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.724 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -144.31 -175.09 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.61 61.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.728 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.82 97.23 4.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -63.15 179.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.495 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -50.85 -17.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -80.58 -30.29 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.706 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.66 -41.93 17.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 75.6 t -53.36 -51.14 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.557 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.3 t -35.7 -55.83 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.75 -50.55 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.03 -41.68 97.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 7.3 mt-30 -59.91 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -34.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' CB ' HG23 ' A' ' 67' ' ' VAL . . . -71.58 -56.55 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.587 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.55 -43.77 85.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.67 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 3.3 t80 -63.52 -63.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 21.2 tptm -38.78 -61.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.588 HD23 ' C ' ' A' ' 32' ' ' THR . 2.7 tp -57.84 -35.24 70.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.843 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.4 t60 -66.33 -51.05 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.75 -26.22 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -16.66 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.77 22.79 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 66.5 mm-40 -99.25 176.89 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.588 ' C ' HD23 ' A' ' 26' ' ' LEU . 76.9 p -129.02 178.57 6.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.702 HG22 ' CH2' ' A' ' 59' ' ' TRP . 2.9 m -135.09 124.61 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.576 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 85.13 -149.77 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.1 p -95.85 -10.7 28.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -83.49 -163.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.6 p -126.44 46.17 2.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.7 m-85 -96.48 145.43 29.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.587 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -75.0 -171.86 9.97 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.974 0.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.59 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.0 p80 -178.48 162.35 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -44.12 155.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.715 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 12.0 t80 -144.4 10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -7.94 88.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.785 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -51.11 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.785 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.46 -43.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -44.24 -20.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 119.11 54.91 0.27 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.705 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 87.3 m-85 -99.75 133.35 44.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.89 69.05 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.705 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 15.0 m-30 -75.75 102.68 5.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.9 p -71.42 29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.6 HG22 ' OD1' ' A' ' 81' ' ' ASN . 14.4 m -129.87 160.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.678 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.6 t -90.17 147.53 23.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.952 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.804 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -73.02 172.26 8.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.804 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.992 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.587 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-85 -98.18 128.19 44.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.0 m-30 -107.64 126.47 52.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 8.6 pt-20 -92.37 135.14 34.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.09 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 28.1 t-105 -146.74 149.86 37.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.09 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.97 151.93 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.413 1.744 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.536 ' HB ' HG12 ' A' ' 78' ' ' VAL . 9.3 tt -120.56 117.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 68' ' ' TYR . 88.2 mt -87.38 120.66 28.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -57.7 -10.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -90.03 -15.64 31.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.33 38.39 15.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 62' ' ' LEU . 68.6 m-20 -113.68 -172.73 2.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.5 HG23 ' CB ' ' A' ' 22' ' ' ALA . 25.0 t -109.46 108.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.74 ' OH ' ' N ' ' A' ' 72' ' ' SER . 17.5 t80 -43.73 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.433 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 30.3 p -162.37 52.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.648 ' O ' ' CE2' ' A' ' 68' ' ' TYR . . . -161.84 -167.85 22.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.498 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -101.18 -31.85 5.47 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 13.8 m -112.77 83.91 6.19 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.661 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.592 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 149.43 171.89 18.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.805 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -54.47 -45.24 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.631 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 7.6 m-20 -59.65 126.33 27.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.661 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -151.59 139.78 20.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 59' ' ' TRP . 1.9 m -105.73 144.59 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.88 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -121.59 138.81 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.903 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -147.39 -161.64 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.795 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.1 OUTLIER -133.35 -164.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.636 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.5 tt0 -92.79 19.8 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.795 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.74 -30.18 9.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 110.96 21.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.838 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 56.0 mt-30 -96.04 -175.09 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.562 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -128.96 127.16 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.88 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.7 -39.89 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 165.13 -137.82 4.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 103' ' ' CYS . 19.7 t -147.98 96.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.605 HD12 ' CG2' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -90.64 166.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.805 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.11 150.18 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.732 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.5 m170 -76.43 15.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -50.74 87.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 35.21 40.27 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.661 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.28 -13.06 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.1 t 99.59 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.008 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.423 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 122.04 -131.94 8.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -94.58 9.57 38.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.754 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.61 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -73.26 158.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.732 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -112.03 167.58 10.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.628 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 31.3 m -162.68 133.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.555 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -53.69 125.71 19.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.251 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.2 m -56.48 -168.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -32.38 124.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 108.301 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -128.96 -11.03 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.674 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 91.1 m-85 -130.17 91.28 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 111.046 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.493 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 53.5 m -100.22 103.99 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 9.3 m -81.72 65.41 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.7 -55.09 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 12.2 p -130.55 54.52 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.72 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.23 -176.23 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.73 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.97 101.26 6.49 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -62.72 178.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.461 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -51.89 -17.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.3 t -81.7 -29.39 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.73 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.74 -42.59 16.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 62.0 t -50.26 -50.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 12.2 t -36.22 -53.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.81 -54.47 7.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.529 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -58.56 -41.71 86.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 11.0 mt-30 -59.48 -54.9 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -38.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.84 -53.14 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -56.37 -41.82 88.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.173 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.656 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 8.8 t80 -67.89 -67.23 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 24.1 tptm -42.15 -53.29 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.772 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 11.1 tp -62.9 -35.13 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.872 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.8 t60 -65.75 -47.01 76.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.618 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -62.93 -25.05 68.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.5 m-20 -84.49 -22.11 30.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 24.03 69.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.502 1.127 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.669 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 24.3 mm-40 -100.91 176.8 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 0.795 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.9 p -128.01 -178.33 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.772 ' CG1' ' CD2' ' A' ' 26' ' ' LEU . 13.2 m -136.43 131.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 72.38 -149.87 44.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.2 p -97.66 14.24 27.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 0.0 109.943 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -102.76 -167.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -123.01 40.1 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -97.25 145.94 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.579 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.0 -171.58 9.59 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.962 0.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.616 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.3 p80 179.46 162.62 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.58 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.13 168.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.708 ' O ' ' C ' ' A' ' 43' ' ' ASN . 33.2 t80 -151.03 12.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.708 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.2 m-80 -7.63 85.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -53.25 158.23 1.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.386 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -166.95 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.7 mm-40 -43.26 -21.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.69 57.18 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.695 ' CZ ' ' OH ' ' A' ' 42' ' ' TYR . 81.9 m-85 -100.02 133.24 44.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 0.816 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.45 74.59 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.653 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 18.2 m-30 -81.06 109.01 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -75.11 28.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.06 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG22 ' OD1' ' A' ' 81' ' ' ASN . 5.2 m -129.87 158.53 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.693 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 m -88.08 149.7 23.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.826 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -74.71 173.36 6.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.826 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.5 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.031 -0.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.1 m-85 -97.29 127.3 43.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.872 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 12.4 m-30 -107.9 123.82 49.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.9 pt-20 -92.34 128.95 38.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.018 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 25.2 t-105 -144.03 148.24 41.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.018 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.02 153.19 41.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 11' ' ' TYR . 4.1 tt -123.73 114.99 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 68' ' ' TYR . 60.6 mt -84.07 121.46 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -7.72 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -88.99 -20.01 24.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.41 8.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 62' ' ' LEU . 1.1 m-20 -112.64 -172.66 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.8 t -111.24 108.12 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.534 1.146 . . . . 0.0 109.198 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.893 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.4 t80 -40.13 138.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.611 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 18.3 p -149.29 60.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.605 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -159.84 -144.99 4.13 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.737 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.21 -31.85 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 74' ' ' GLY . 84.1 p -116.3 82.65 12.0 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.668 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 43.67 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.056 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 71.28 -97.48 0.68 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.677 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -154.01 -37.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.726 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.7 m-20 -59.51 132.33 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.726 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.6 mmt-85 -151.43 145.15 25.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.802 ' N ' ' O ' ' A' ' 59' ' ' TRP . 5.5 m -113.27 138.9 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 82.2 t -114.24 137.79 46.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.843 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.5 p90 -148.85 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.766 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -140.48 -171.32 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.656 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 11.1 tp10 -87.42 12.0 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.088 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.25 -23.23 13.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.182 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.65 24.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.088 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.7 mt-30 -106.34 133.36 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.55 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.3 131.84 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.17 -39.0 63.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 167.96 -137.08 4.4 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.744 ' O ' ' N ' ' A' ' 103' ' ' CYS . 86.1 t -148.39 90.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 1.6 pt -86.78 166.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.677 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -160.84 150.21 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.611 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.8 m170 -73.4 16.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.549 ' H ' ' C ' ' A' ' 91' ' ' THR . 98.6 m -58.71 -125.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.533 ' H ' ' CG2' ' A' ' 93' ' ' THR . . . -68.76 49.83 0.48 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -81.74 -31.01 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.9 t 80.5 36.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.053 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.61 -134.24 5.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.162 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -96.68 8.13 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.492 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -69.98 -165.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.635 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 38.4 m-85 -141.25 166.18 25.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.635 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 32.6 m -162.47 134.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.4 125.66 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.9 m -55.42 -165.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.653 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -106.87 60.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 108.312 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -39.59 -29.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.74 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 80.3 m-85 -139.25 109.32 6.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.547 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -118.28 106.15 12.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -80.72 66.5 6.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.3 -47.49 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.8 p -157.96 49.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.807 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -124.27 -166.8 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.653 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.46 76.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.333 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.888 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m-85 -90.67 50.78 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.798 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -27.76 152.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 p -39.15 -23.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.052 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.0 t -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.888 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -82.31 -22.28 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.74 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 42.9 t -76.46 -71.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.565 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -41.6 -54.02 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -49.51 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.482 ' CB ' HG12 ' A' ' 78' ' ' VAL . . . -60.76 -43.75 97.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.768 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 8.3 mt-30 -61.52 -58.95 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.88 -36.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -74.65 -53.2 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -56.26 -44.44 89.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.584 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.2 t80 -69.48 -63.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 0.769 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 23.0 tptm -34.73 -61.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.604 HD23 ' C ' ' A' ' 32' ' ' THR . 3.0 tp -58.57 -38.22 77.43 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.851 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.2 t60 -64.04 -49.36 72.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -59.31 -26.98 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -88.36 -16.12 33.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.78 22.31 74.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 65.5 mm-40 -99.57 176.06 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.604 ' C ' HD23 ' A' ' 26' ' ' LEU . 79.1 p -126.76 -178.5 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.172 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.68 HG22 ' CH2' ' A' ' 59' ' ' TRP . 3.5 m -136.16 123.08 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.564 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 83.32 -148.91 25.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -96.15 -8.66 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.603 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -84.31 -163.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 39' ' ' PRO . 52.6 p -125.99 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.603 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -97.62 147.37 32.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.531 ' HD3' HD21 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -166.04 4.6 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.995 -0.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.642 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.3 p80 179.63 166.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -46.65 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.701 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 33.3 t80 -154.64 14.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.6 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -52.93 172.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.793 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 176.54 -43.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -44.75 -20.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.6 56.69 0.35 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.709 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 78.1 m-85 -100.46 132.01 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 69.08 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.7 m-30 -76.77 108.5 9.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -77.0 25.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 50' ' ' PHE . 9.0 m -125.92 155.42 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.722 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 17.0 m -88.54 145.94 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.83 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -68.95 172.17 5.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.83 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 157.53 99.52 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.985 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.664 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.9 m-85 -98.06 129.35 44.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.914 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.5 m-30 -110.32 126.0 53.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.642 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.9 pp20? -87.24 140.46 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.943 ' O ' ' N ' ' A' ' 78' ' ' VAL . 55.1 t-105 -156.21 144.86 14.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.94 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 146.74 32.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.445 1.761 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.498 HG23 ' CB ' ' A' ' 76' ' ' ASP . 12.4 tt -114.56 116.66 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.612 1.195 . . . . 0.0 109.22 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 68' ' ' TYR . 21.8 mt -87.27 124.46 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.19 0.48 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -99.09 -14.47 19.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.15 39.8 9.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.413 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 2.3 m-20 -113.29 -172.08 2.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 69' ' ' SER . 6.6 t -117.55 105.06 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.94 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.5 t80 -43.49 91.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' VAL . 87.1 p -101.68 36.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.684 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -137.72 -162.55 9.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.67 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -111.22 -23.16 5.88 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.8 p -115.49 89.01 20.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.789 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.04 -49.7 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.457 1.767 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.624 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 148.24 -109.68 0.47 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.651 ' HB2' ' H ' ' A' ' 92' ' ' HIS . . . -131.96 -40.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 0.812 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.669 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -64.51 137.7 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.789 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 18.4 mmt-85 -152.91 140.32 19.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.943 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -105.39 127.07 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.161 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.4 t -104.62 122.56 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.1 p90 -135.49 -160.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.839 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -135.9 -166.31 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.612 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 13.9 tt0 -89.03 6.34 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.097 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -96.95 -22.38 16.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.71 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.52 22.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.097 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.5 mt-30 -107.42 130.33 54.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.926 HD23 ' H ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -87.93 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.161 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -69.29 -45.07 70.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.926 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 175.77 -132.52 2.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.781 ' O ' ' N ' ' A' ' 103' ' ' CYS . 42.1 t -150.93 95.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.73 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.673 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -87.26 170.22 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.714 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.13 147.29 12.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.163 . . . . 0.0 110.424 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.651 ' H ' ' HB2' ' A' ' 75' ' ' ALA . 16.7 m170 -64.43 -1.17 1.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.577 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.514 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -80.95 169.86 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 33.96 40.84 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.596 ' CB ' ' OD1' ' A' ' 99' ' ' ASN . . . -116.23 150.54 37.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 0.808 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.843 ' N ' HD22 ' A' ' 99' ' ' ASN . 24.3 t -87.82 32.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.488 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 149.24 -130.96 3.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.6 t-20 -91.59 6.59 45.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.367 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.843 HD22 ' N ' ' A' ' 96' ' ' SER . 4.5 p30 -63.51 -163.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.673 ' CD1' HG13 ' A' ' 90' ' ' ILE . 41.0 m-85 -139.04 166.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.603 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 35.0 m -161.22 131.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.2 OUTLIER -54.8 124.72 17.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 69.6 m -56.1 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.726 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -163.47 121.25 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 108.314 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.458 ' N ' ' HB3' ' A' ' 12' ' ' SER . 1.0 OUTLIER -137.84 -4.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.693 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 90.1 m-85 -134.68 92.59 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.494 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 9.6 m -98.87 104.54 16.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.9 m -81.46 62.92 5.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.7 -54.27 1.66 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 26.3 p -132.05 51.28 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 0.811 . . . . 0.0 110.044 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.72 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.58 -175.25 4.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.726 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.97 59.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.267 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.73 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -124.74 100.24 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.953 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.458 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 65.0 p -64.63 -179.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -52.42 -17.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.84 -30.65 32.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.076 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.703 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.92 -40.67 18.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 71.4 t -53.26 -52.13 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.492 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 8.6 t -36.59 -54.08 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.15 -52.77 14.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.549 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.45 -42.23 91.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 10.4 mt-30 -60.35 -57.5 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.06 -36.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' CB ' HG23 ' A' ' 67' ' ' VAL . . . -70.13 -56.31 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.566 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.04 -42.67 87.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.1 t80 -64.92 -63.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.98 -60.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.376 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.567 HD23 ' C ' ' A' ' 32' ' ' THR . 2.2 tp -58.1 -34.7 70.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 61.6 t60 -66.55 -51.98 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.588 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' OE2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -57.11 -26.95 61.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -17.0 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.69 23.37 72.84 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.2 mm-40 -97.91 175.91 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 0.798 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.567 ' C ' HD23 ' A' ' 26' ' ' LEU . 67.4 p -127.33 177.72 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.871 ' CG2' ' CE2' ' A' ' 68' ' ' TYR . 2.7 m -137.58 150.49 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.374 1.046 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 61.71 -156.6 35.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.063 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -97.27 32.2 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -127.42 -165.97 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.391 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.5 p -120.25 42.8 2.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.17 . . . . 0.0 110.02 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -95.1 150.6 37.92 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.566 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -75.01 -169.07 7.02 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.047 -0.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 21.5 p80 -177.94 168.92 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.519 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -48.1 169.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.715 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 26.3 t80 -154.43 13.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.3 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.777 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -51.9 168.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.777 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.37 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.516 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.17 -20.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.98 56.53 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.687 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 82.8 m-85 -101.41 132.63 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.26 70.13 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.687 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 17.3 m-30 -75.77 107.34 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.5 p -74.85 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.549 ' H ' ' C ' ' A' ' 50' ' ' PHE . 5.0 m -127.2 155.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.644 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.3 t -88.79 143.59 26.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.829 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -64.07 171.88 2.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.829 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 157.79 99.4 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.023 -0.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-30 -99.39 119.32 37.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.925 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -101.25 130.54 47.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -92.76 142.69 27.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.836 ' O ' ' N ' ' A' ' 78' ' ' VAL . 27.2 t-105 -161.39 141.14 7.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.173 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.11 148.97 35.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.584 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 3.3 tt -118.43 116.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 68' ' ' TYR . 47.0 mt -81.88 122.03 27.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.2 p -57.62 -14.86 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.15 -18.48 46.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.04 12.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.1 m-20 -108.16 -173.38 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.484 HG23 ' CB ' ' A' ' 22' ' ' ALA . 5.1 t -108.22 102.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.173 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -43.09 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.416 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 55.5 p -127.67 37.93 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -112.66 -65.19 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.91 17.29 6.93 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.737 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.4 m -141.68 45.86 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.737 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.792 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.863 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 23.87 93.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.845 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.71 -101.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.669 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.8 m-20 -71.01 129.37 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.863 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -151.33 133.4 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.836 ' N ' ' O ' ' A' ' 59' ' ' TRP . 4.2 m -107.32 122.95 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.958 ' O ' ' N ' ' A' ' 87' ' ' ALA . 75.5 t -96.09 136.17 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.925 ' O ' ' N ' ' A' ' 57' ' ' TYR . 8.6 p90 -147.17 -164.72 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.741 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.01 -171.71 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.69 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 22.8 tt0 -88.02 18.18 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.074 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -109.62 -23.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.33 23.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.074 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.1 mt-30 -106.5 133.55 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.586 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.47 132.5 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.19 -38.46 63.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 168.94 -144.45 8.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.808 ' O ' ' N ' ' A' ' 103' ' ' CYS . 84.5 t -143.28 91.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.579 HD11 ' CE2' ' A' ' 42' ' ' TYR . 0.8 OUTLIER -86.36 165.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.845 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -159.19 146.24 17.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.632 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 12.7 m170 -65.09 -14.38 60.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -73.69 167.82 20.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 38.15 39.58 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.55 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . . . -117.78 174.52 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 0.8 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.489 ' N ' ' ND2' ' A' ' 99' ' ' ASN . 10.8 t -105.17 45.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.687 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 129.34 -122.43 3.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 3.0 t-20 -93.98 3.89 54.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.687 HD22 ' N ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -63.24 -175.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.632 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 42.0 m-85 -129.76 163.98 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.06 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.628 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 28.6 m -162.57 133.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -52.55 125.41 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.238 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.2 m -56.12 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.51 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -35.28 130.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.318 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -131.45 -7.12 3.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.706 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 78.4 m-85 -133.99 77.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.19 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -87.76 104.56 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.0 m -81.5 63.82 5.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.579 1.175 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.27 -54.42 0.62 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 10.9 p -129.96 52.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.736 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.14 -174.97 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -129.21 96.17 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 110.954 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 43.5 p -61.43 179.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -17.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.032 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.8 t -82.02 -30.07 31.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.51 -40.31 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.652 ' CG1' ' CG2' ' A' ' 78' ' ' VAL . 96.4 t -56.45 -48.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.536 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.4 t -37.45 -52.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.65 -53.7 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -57.57 -42.96 84.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.541 ' HG2' HG23 ' A' ' 78' ' ' VAL . 11.1 mt-30 -57.61 -55.79 30.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.55 -34.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -72.35 -55.88 6.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.54 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.29 -43.08 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.605 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.0 t80 -65.12 -63.54 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 8.6 tptp -39.16 -62.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD23 ' C ' ' A' ' 32' ' ' THR . 2.5 tp -56.56 -37.2 70.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.6 t60 -63.55 -49.6 72.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.58 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -59.7 -26.58 65.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -17.06 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.29 23.72 73.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 mm-40 -99.99 174.55 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.348 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.584 ' C ' HD23 ' A' ' 26' ' ' LEU . 73.4 p -123.97 -178.42 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.734 HG23 ' CH2' ' A' ' 59' ' ' TRP . 2.2 m -140.68 133.55 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.433 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 77.1 -152.55 40.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -96.42 4.16 52.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.939 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.615 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -98.89 -163.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 p -124.77 45.92 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.949 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.615 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -97.71 148.33 34.29 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.54 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -75.0 -171.59 9.61 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.046 -2.481 . . . . 0.0 111.013 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.636 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 -177.24 156.54 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.632 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -40.97 155.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.7 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 1.3 t80 -149.67 -37.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.825 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 57.55 -98.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.825 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.3 p-10 152.24 175.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.34 -48.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.641 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.8 mm-40 -44.99 -18.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.497 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.58 55.59 0.45 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.48 1.113 . . . . 0.0 111.096 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.794 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 90.5 m-85 -99.27 135.17 41.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 63.9 2.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.794 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.6 m-30 -66.49 98.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -72.02 27.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.976 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.599 ' H ' ' C ' ' A' ' 50' ' ' PHE . 13.5 m -124.84 157.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.615 1.197 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.701 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.0 m -88.2 143.83 26.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.801 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -66.4 171.09 4.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.801 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.99 157.12 99.81 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.6 m-85 -98.88 115.99 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.919 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.4 m-30 -98.71 131.82 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.7 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 3.2 pt-20 -95.51 138.51 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.829 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 24.9 t-105 -154.66 145.42 16.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.2 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 149.02 36.09 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.547 HG13 ' CB ' ' A' ' 19' ' ' ALA . 5.1 tt -116.69 121.83 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 68' ' ' TYR . 56.9 mt -89.41 122.69 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -6.83 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.69 -17.03 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.23 36.88 10.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 2.1 m-20 -110.66 -169.51 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.44 HG23 ' CB ' ' A' ' 22' ' ' ALA . 8.6 t -114.18 105.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.2 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.8 t80 -46.45 102.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.9 p -116.04 44.06 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 1.056 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -155.15 129.41 2.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.461 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -50.7 -8.07 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.547 ' H ' ' C ' ' A' ' 70' ' ' GLY . 87.7 p -114.0 82.32 6.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.806 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.753 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.681 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 145.6 -108.5 0.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -131.48 -44.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.671 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 19.8 m-20 -62.47 132.71 53.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.717 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 12.1 mmt-85 -150.28 145.25 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -115.75 136.33 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.949 ' O ' ' N ' ' A' ' 87' ' ' ALA . 71.4 t -111.73 136.1 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.919 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.9 p90 -145.91 -162.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.773 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -136.1 -171.77 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.671 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 14.9 tt0 -87.68 17.17 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.085 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -108.67 -22.82 12.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.706 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.92 24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.085 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.2 mt-30 -106.95 133.6 51.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.569 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.08 131.78 34.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.949 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.46 -42.05 65.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.406 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 172.03 -143.17 7.31 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.776 ' O ' ' N ' ' A' ' 103' ' ' CYS . 88.0 t -144.64 91.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.609 ' CG2' ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -87.07 166.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.611 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -163.05 153.45 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.645 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.7 m170 -76.31 13.37 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -48.12 88.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.355 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.39 41.51 0.1 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.638 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -59.52 -11.62 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.5 t 98.08 46.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.051 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.421 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 122.67 -130.04 7.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.85 4.76 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.571 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -67.56 162.47 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.645 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 19.0 m-85 -114.99 168.37 9.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.631 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.1 m -162.72 133.56 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -58.51 124.83 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.7 m -55.51 -164.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.103 . . . . 0.0 108.298 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.449 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.491 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -35.76 128.17 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 108.285 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.416 ' N ' ' HB2' ' A' ' 12' ' ' SER . 11.1 m-20 -129.38 -7.69 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.708 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 84.3 m-85 -133.93 88.04 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.47 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 6.1 m -95.86 105.74 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 30.1 m -82.36 61.8 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.73 -55.71 1.7 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 23.0 p -130.8 52.16 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.747 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.699 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.94 -174.5 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.07 61.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.745 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.05 98.19 5.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 13' ' ' SER . 1.2 t -63.59 179.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.502 ' N ' ' OG ' ' A' ' 12' ' ' SER . 1.6 p -50.84 -17.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -81.29 -30.46 33.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.724 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.01 -41.88 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.524 HG11 ' CG1' ' A' ' 78' ' ' VAL . 49.2 t -49.37 -49.68 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -40.66 -51.2 3.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.578 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.1 m -46.66 -58.48 3.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.593 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -55.81 -43.84 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.572 ' OE1' ' HB2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -58.38 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.9 -35.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -74.76 -53.45 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.383 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.588 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -57.3 -41.66 93.13 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.667 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 9.9 t80 -66.45 -67.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 56.0 tptt -43.07 -51.65 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.718 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 11.8 tp -63.83 -35.17 79.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.859 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 48.8 t60 -65.84 -45.64 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.572 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.601 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.41 -23.8 66.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 13.4 m-20 -83.42 -23.09 32.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.22 22.46 68.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.692 ' CB ' ' CD1' ' A' ' 26' ' ' LEU . 20.5 mm-40 -100.2 -179.24 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 70.3 p -135.29 -179.65 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.805 ' CG2' ' CE2' ' A' ' 68' ' ' TYR . 4.4 m -136.38 137.05 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 70' ' ' GLY . . . 70.58 -152.55 50.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.573 1.17 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -97.95 23.67 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.622 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -114.72 -166.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . 7.1 p -122.71 40.69 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -94.64 145.81 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.588 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -75.09 -172.09 10.32 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.033 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.495 ' CE1' ' OE2' ' A' ' 58' ' ' GLU . 32.4 p80 178.98 167.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 17.1 tptm -45.47 161.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.707 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 29.5 t80 -146.13 11.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.704 ' C ' ' O ' ' A' ' 42' ' ' TYR . 6.0 m-80 -7.3 86.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.769 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -53.14 171.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.769 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.73 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -44.23 -20.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.57 56.08 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.641 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 83.9 m-85 -100.8 132.55 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.59 70.89 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.639 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 18.3 m-30 -76.84 106.5 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.6 p -74.6 27.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.958 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.556 ' H ' ' C ' ' A' ' 50' ' ' PHE . 6.5 m -126.58 157.29 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.698 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 7.5 t -89.34 146.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.822 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -69.49 171.63 6.64 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.822 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.02 157.01 99.86 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.976 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.705 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.3 m-85 -98.87 126.65 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.859 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.2 m-30 -106.89 124.67 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 13.8 pt-20 -91.93 137.94 31.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.845 ' O ' ' N ' ' A' ' 78' ' ' VAL . 26.3 t-105 -155.77 144.71 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.032 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.024 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 145.8 31.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.593 HG13 ' CB ' ' A' ' 19' ' ' ALA . 2.4 tt -116.41 113.87 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.4 mt -82.6 119.39 24.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -15.17 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -80.44 -19.38 46.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.1 33.93 11.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.45 -173.71 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.436 HG23 ' CB ' ' A' ' 22' ' ' ALA . 16.4 t -112.02 104.71 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.024 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.5 t80 -42.54 95.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.473 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.5 p -97.54 3.12 50.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.655 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -96.32 -158.81 31.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.761 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -145.5 28.54 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.66 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 60.2 p -147.01 50.98 1.04 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.66 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.05 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.932 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 8.08 99.64 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.79 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 157.24 -70.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.228 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.687 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 56.8 m-20 -114.58 131.8 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.932 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -151.42 140.82 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.845 ' N ' ' O ' ' A' ' 59' ' ' TRP . 3.1 m -113.39 123.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.913 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.7 t -96.08 134.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.849 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.4 p90 -147.25 -159.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.758 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -139.41 -172.41 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.684 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 6.6 tt0 -86.06 10.77 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.075 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.02 -23.62 14.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.703 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.92 23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.075 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.8 mt-30 -104.99 133.83 49.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -85.16 131.74 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.913 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.32 -43.33 57.14 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.404 ' O ' HG21 ' A' ' 89' ' ' VAL . . . 175.28 -138.74 4.41 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.797 ' O ' ' N ' ' A' ' 103' ' ' CYS . 92.5 t -148.92 89.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.617 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 1.1 pt -84.83 165.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.79 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 1.1 t -163.27 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.638 ' NE2' ' CE1' ' A' ' 100' ' ' PHE . 14.0 m-70 -92.11 -25.53 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.652 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -17.42 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.632 ' HA3' HG22 ' A' ' 101' ' ' VAL . . . -120.04 31.23 5.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.545 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . . . -132.97 133.32 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.491 ' N ' HD22 ' A' ' 99' ' ' ASN . 29.5 t -86.99 30.39 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.36 -132.66 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.0 t-20 -94.66 -4.41 47.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.545 ' ND2' ' CB ' ' A' ' 95' ' ' ALA . 2.9 p30 -64.82 173.02 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.647 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 27.2 m-85 -124.51 166.81 15.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.647 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 21.0 m -161.78 135.15 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -54.11 126.67 23.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.27 -163.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.674 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -109.65 60.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 108.353 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.8 m-20 -39.58 -29.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.75 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 76.6 m-85 -139.85 112.46 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.568 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.2 m -121.49 106.19 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.8 m -80.29 68.03 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.63 -48.78 3.94 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.6 p -158.48 49.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.776 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.97 -166.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.674 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.8 t -171.65 77.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.898 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.1 m-85 -91.09 51.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.794 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -28.51 152.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.003 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.8 p -39.01 -23.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.8 t -80.36 -26.37 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.948 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -81.79 -22.17 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.75 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 13.1 t -74.18 -71.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.51 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 23.1 t -40.82 -53.55 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.87 -49.32 20.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.577 ' CB ' HG13 ' A' ' 78' ' ' VAL . . . -61.54 -44.5 96.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.633 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 10.3 mt-30 -61.87 -57.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.03 -41.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -71.58 -56.74 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.616 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.39 -43.05 65.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.637 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 2.8 t80 -67.06 -69.13 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -42.92 -54.29 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.792 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 58.3 tp -61.4 -33.25 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.852 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 38.5 t60 -68.88 -50.76 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -56.73 -25.41 54.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -85.5 -19.72 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.19 23.72 77.0 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.585 ' CB ' HD13 ' A' ' 26' ' ' LEU . 44.7 mm-40 -98.42 175.32 6.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.466 0.744 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 80.3 p -128.76 179.37 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.886 ' HB ' ' HA ' ' A' ' 69' ' ' SER . 5.0 m -136.11 128.76 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.531 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.14 -145.7 29.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.1 p -96.25 -14.67 22.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 110.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.575 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 3.1 m-20 -76.36 -165.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 5.3 p -125.9 42.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.59 144.59 28.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.616 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.5 Cg_endo -74.93 -173.59 12.55 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.003 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.487 ' NE2' ' CD ' ' A' ' 58' ' ' GLU . 31.7 p80 179.12 154.72 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.467 1.104 . . . . 0.0 109.539 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' HIS . 7.7 ttpt -40.53 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.749 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -154.92 -28.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.82 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 49.35 -98.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.82 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.2 p-10 153.86 173.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.99 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.1 mp0 -45.61 -18.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.66 55.75 0.45 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.775 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 87.0 m-85 -99.67 132.51 44.96 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.25 61.76 3.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.775 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.9 m-30 -65.15 100.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.22 22.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 50' ' ' PHE . 16.1 m -122.74 161.91 23.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 1.025 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 64.8 m -83.6 175.79 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.796 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -102.69 172.27 4.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.796 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -75.0 158.88 98.73 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.972 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.63 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -96.87 123.17 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.861 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.5 m-30 -103.33 136.75 42.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.589 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -101.96 140.63 35.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.056 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 46.4 t-105 -155.58 148.41 18.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.056 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.11 150.75 38.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.565 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 10.1 tt -114.58 131.37 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.728 HD22 ' CE1' ' A' ' 68' ' ' TYR . 46.1 mt -96.52 122.53 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.8 t -68.29 7.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -109.64 -8.66 14.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 39.67 23.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' C ' HD11 ' A' ' 62' ' ' LEU . 8.7 m-20 -120.68 -162.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.452 HG21 ' HB1' ' A' ' 22' ' ' ALA . 15.4 t -119.31 122.19 68.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.73 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -76.03 113.91 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.886 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 51.9 p -135.0 57.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 72' ' ' SER . . . -139.07 -5.15 1.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.531 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 78.27 -19.87 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 70' ' ' GLY . 3.8 m -114.42 78.7 4.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.823 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 18.5 Cg_endo -74.95 -54.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.613 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.69 -107.02 0.44 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.58 1.175 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.946 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . -128.2 -42.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 0.719 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.685 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.1 133.94 56.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.823 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 mmt-85 -152.0 142.25 22.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.85 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -109.66 126.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.029 ' O ' ' N ' ' A' ' 87' ' ' ALA . 60.3 t -103.59 137.44 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.861 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -146.33 -158.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.025 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.15 -168.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.611 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 11.0 tt0 -89.64 15.25 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.067 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -105.93 -22.64 12.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.38 21.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.067 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.0 mt-30 -108.62 132.41 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.684 ' CD2' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -89.31 136.32 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.365 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.029 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -68.22 -44.37 75.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.25 -132.93 2.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.728 ' O ' ' N ' ' A' ' 103' ' ' CYS . 44.7 t -149.97 93.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.769 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -86.05 171.06 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.685 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -165.21 151.14 9.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.946 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 8.2 m170 -79.43 12.93 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.4 m -48.23 84.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 33.72 35.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.718 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -51.45 -36.81 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.733 ' N ' HD22 ' A' ' 99' ' ' ASN . 13.3 t 136.84 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 117.2 -117.95 3.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.6 t-20 -95.25 -9.67 32.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.733 HD22 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.03 150.84 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.769 ' CD1' HG13 ' A' ' 90' ' ' ILE . 21.3 m-85 -105.36 171.62 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.636 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.0 m -163.36 132.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -59.11 125.75 24.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 85.4 m -55.89 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 0.0 108.26 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.392 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.678 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -105.57 59.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 108.256 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -28.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.709 ' CD2' ' CG2' ' A' ' 16' ' ' VAL . 80.9 m-85 -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.569 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.0 m -118.39 102.45 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 25.3 m -78.78 66.22 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 108.335 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 -48.71 3.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.5 p -158.93 48.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.801 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.36 -167.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.678 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.6 t -171.87 76.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.895 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 15.9 m-85 -90.85 48.48 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.824 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -25.31 149.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 15.0 p -38.48 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.0 t -82.03 -24.73 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.895 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -81.86 -26.79 33.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.709 ' CG2' ' CD2' ' A' ' 4' ' ' TYR . 96.6 t -77.42 -69.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' VAL . 45.7 t -36.57 -51.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -48.7 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB3' HG13 ' A' ' 61' ' ' ILE . . . -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 14.7 mt-30 -59.43 -56.69 18.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.54 -39.92 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB3' HG23 ' A' ' 67' ' ' VAL . . . -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.559 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -54.62 -42.6 77.56 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.664 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.2 t80 -65.53 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.5 tptm -39.69 -59.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.604 HD23 ' C ' ' A' ' 32' ' ' THR . 2.7 tp -59.67 -33.74 71.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 51.6 t60 -67.44 -50.72 58.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.601 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.81 -26.1 63.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -18.91 25.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.11 66.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HB3' HD13 ' A' ' 26' ' ' LEU . 7.2 mm-40 -97.47 175.63 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.237 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.604 ' C ' HD23 ' A' ' 26' ' ' LEU . 64.4 p -127.04 177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.727 HG22 ' CH2' ' A' ' 59' ' ' TRP . 2.5 m -139.59 134.74 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 78.87 -151.07 35.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -96.15 -6.51 38.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 0.763 . . . . 0.0 109.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.614 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -89.99 -163.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.2 p -124.16 46.49 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -95.19 147.53 33.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.559 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -74.98 -168.21 6.29 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.016 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.62 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.2 p80 179.93 163.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 15.8 ttpp -50.61 152.2 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.787 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -147.09 -32.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.848 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.5 m-80 51.96 -96.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.848 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.8 p-10 153.03 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.361 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.44 -47.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.633 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 49.7 mt-10 -45.87 -19.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.09 55.33 0.41 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.787 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 95.7 m-85 -98.63 136.23 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.97 67.87 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.744 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.0 m-30 -73.52 97.84 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -73.14 29.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 50' ' ' PHE . 16.5 m -127.14 159.53 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.651 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 15.7 t -87.54 144.09 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.949 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.831 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -68.85 172.0 5.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.831 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.05 159.17 98.35 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.946 0.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.3 m-85 -100.8 116.47 32.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.942 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.8 m-30 -98.6 137.45 37.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.62 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.9 pp20? -102.7 135.71 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.019 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 33.1 t-105 -149.02 148.07 25.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 107.96 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.019 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.538 HD12 ' CG ' ' A' ' 11' ' ' TYR . 15.6 tt -120.09 129.97 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.687 HD21 ' CE2' ' A' ' 68' ' ' TYR . 73.5 mt -95.59 123.22 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.5 m -64.7 -0.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -103.03 -8.37 20.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.79 40.62 30.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' C ' HD13 ' A' ' 62' ' ' LEU . 5.4 m-20 -121.41 -166.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 22' ' ' ALA . 24.0 t -108.48 123.29 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.751 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -74.06 137.29 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.467 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.9 p -156.5 63.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.506 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . -138.49 -58.66 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.666 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 131.2 -20.15 4.77 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 38.3 t -120.02 61.49 7.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.688 ' HA ' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.99 48.52 2.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.773 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.98 -110.77 3.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.659 ' HB3' ' CB ' ' A' ' 92' ' ' HIS . . . -140.91 -30.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.643 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -62.17 126.83 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.643 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.1 mmt-85 -148.6 145.2 27.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.797 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -104.82 138.1 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.9 t -112.42 137.73 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.942 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.7 p90 -147.96 -163.93 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.696 ' ND2' ' HB2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -134.53 -172.68 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.664 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 8.9 tp10 -87.27 14.74 7.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -105.86 -23.96 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.93 24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.696 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 50.1 mt-30 -105.95 134.65 48.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.678 HD13 ' CA ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -87.71 130.6 34.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.8 -35.25 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.678 ' CA ' HD13 ' A' ' 86' ' ' LEU . . . 159.22 -139.26 6.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.75 ' O ' ' N ' ' A' ' 103' ' ' CYS . 37.8 t -147.73 98.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.592 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -84.2 162.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.766 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -165.86 162.74 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.659 ' CB ' ' HB3' ' A' ' 75' ' ' ALA . 12.2 m170 -92.63 -5.63 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.83 -20.71 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.454 ' HA3' HG22 ' A' ' 101' ' ' VAL . . . -132.2 38.07 1.95 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.609 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . . . -127.65 -45.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.4 t 74.73 54.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.498 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.4 -134.98 5.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 98' ' ' ASN . 0.3 OUTLIER -92.79 -11.24 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 0.809 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.691 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -63.61 160.44 16.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.654 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 19.4 m-85 -121.87 165.3 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.654 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 30.2 m -163.78 134.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -57.21 121.66 10.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.5 m -54.32 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.471 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -164.64 77.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 108.309 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' HB2' ' OG ' ' A' ' 12' ' ' SER . 7.3 m-20 -65.16 -19.16 65.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.232 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.626 ' CD1' HG22 ' A' ' 89' ' ' VAL . 87.8 m-85 -122.85 145.54 48.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.719 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -153.06 105.63 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.445 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.197 ' CB ' ' SG ' ' A' ' 103' ' ' CYS . 21.2 m -81.61 61.93 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 -55.37 1.03 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.475 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 23.4 p -128.2 53.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 0.765 . . . . 0.0 109.947 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.688 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -140.24 -175.13 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.24 66.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 108.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.708 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.91 100.03 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -61.98 -177.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -55.14 -15.81 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.6 t -82.48 -31.26 29.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.686 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.67 -37.79 24.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 67.9 t -58.29 -54.03 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.498 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -36.59 -53.71 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.35 -51.5 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.614 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.59 -42.26 98.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 10.0 mt-30 -58.48 -57.46 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.42 -35.6 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' CB ' HG23 ' A' ' 67' ' ' VAL . . . -71.2 -56.69 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.617 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.91 -43.29 87.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.687 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t80 -64.03 -62.88 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 32' ' ' THR . 3.4 tp -57.72 -34.02 69.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.9 t60 -66.62 -51.97 50.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' OE2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -55.68 -27.79 52.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.62 -16.15 33.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.78 23.43 74.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.92 175.31 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.565 ' C ' HD23 ' A' ' 26' ' ' LEU . 72.4 p -129.61 173.14 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.646 1.216 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.679 ' O ' ' HA3' ' A' ' 70' ' ' GLY . 2.0 m -128.6 132.6 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.8 -152.86 39.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 m -94.01 -12.45 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.617 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -80.24 -162.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 90.6 p -126.13 47.94 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.947 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.617 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -100.55 143.66 26.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.617 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -74.96 -169.97 7.82 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.007 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.583 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 35.1 p80 -177.88 162.01 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.54 151.56 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.746 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.7 t80 -143.89 -38.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.84 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 1.4 m-80 59.41 -100.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.84 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.5 p-10 153.04 178.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 168.26 -46.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 111.068 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.602 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 9.3 mm-40 -47.29 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.87 53.63 0.48 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.784 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 91.8 m-85 -97.29 135.17 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 68.5 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.784 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -74.63 94.23 2.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.1 p -69.98 31.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.613 ' H ' ' C ' ' A' ' 50' ' ' PHE . 12.6 m -129.28 159.48 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.66 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 24.6 m -87.64 146.41 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.805 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -70.29 171.76 7.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.805 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.95 158.86 98.73 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.996 0.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.649 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -100.16 116.94 33.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.898 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.7 m-30 -98.98 134.87 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.629 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.2 pt-20 -103.22 129.06 50.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.109 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 13.3 t-105 -142.79 151.78 57.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.109 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.614 HG13 ' CB ' ' A' ' 19' ' ' ALA . 2.6 tt -119.88 123.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 68' ' ' TYR . 96.0 mt -90.73 124.57 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -16.68 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -86.76 -19.93 28.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.05 31.99 18.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.415 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.2 m-20 -107.17 -173.29 2.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.519 HG23 ' CB ' ' A' ' 22' ' ' ALA . 51.3 t -102.1 109.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.679 ' HA ' HD13 ' A' ' 62' ' ' LEU . 35.6 t80 -47.51 172.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.686 ' O ' ' N ' ' A' ' 34' ' ' GLY . 69.3 p -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.679 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . 131.06 149.33 6.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.521 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 110.56 -103.85 1.7 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.612 ' N ' ' HH ' ' A' ' 68' ' ' TYR . 52.3 p -112.6 81.34 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.787 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -74.99 51.79 2.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.67 -91.43 0.17 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.74 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -159.76 -38.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.729 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 9.8 m-20 -59.8 132.6 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.729 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 3.3 mmt-85 -152.17 147.0 25.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.758 ' N ' ' O ' ' A' ' 59' ' ' TRP . 3.4 m -115.89 134.94 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.887 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.0 t -109.61 138.83 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.898 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -148.76 -159.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.723 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -138.11 -171.91 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.687 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 7.8 tt0 -86.97 11.21 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.087 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.68 -24.09 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.715 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.03 23.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.087 HE21 ' ND2' ' A' ' 83' ' ' ASN . 34.3 mt-30 -104.96 134.68 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.579 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -84.69 132.77 34.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.21 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.887 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.88 -43.39 54.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.26 -130.95 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.8 ' O ' ' N ' ' A' ' 103' ' ' CYS . 57.3 t -153.66 94.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.547 HD11 ' CE2' ' A' ' 42' ' ' TYR . 1.8 pt -89.89 167.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.74 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.3 150.98 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.425 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.634 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.0 m-70 -75.69 13.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.604 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -48.57 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.16 42.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.655 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.59 -11.58 3.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 0.82 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.7 t 98.68 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.445 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 121.81 -131.82 8.66 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.6 t-20 -95.1 11.72 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.665 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -75.07 164.29 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.665 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 26.8 m-85 -116.92 166.97 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.665 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.7 m -163.98 138.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -50.15 129.31 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.197 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 12.3 m -53.63 -24.29 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 5' ' ' THR . 10.0 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.596 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -111.21 62.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' CYS . 70.5 m-20 -39.35 -29.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.755 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 75.3 m-85 -138.98 112.85 8.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.716 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -121.2 109.29 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 0.0 110.42 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.6 m -82.63 63.04 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.63 -45.17 3.32 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -160.13 48.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.766 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.81 -165.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.596 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 46.7 t -173.06 78.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.897 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.9 51.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -28.13 152.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 p -38.92 -23.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -80.9 -26.17 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.897 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -81.8 -23.4 36.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.755 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 22.3 t -72.61 -70.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.456 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 5.2 t -39.55 -53.13 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.91 -49.22 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' CB ' HG12 ' A' ' 78' ' ' VAL . . . -60.53 -44.19 96.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.685 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 13.7 mt-30 -58.92 -56.5 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.46 -39.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . -72.81 -55.61 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.533 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -55.03 -41.6 78.15 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.711 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.6 t80 -69.96 -66.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.568 0.805 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.4 tptp -43.48 -55.67 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.791 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 12.7 tp -60.5 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.858 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 40.9 t60 -66.65 -47.33 72.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.606 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.77 -24.54 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-20 -85.09 -23.81 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.74 23.11 70.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.701 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 22.9 mm-40 -97.74 176.16 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.582 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 78.5 p -130.05 174.68 9.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.791 ' CG1' ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -137.07 133.61 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.48 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 78.89 -150.19 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.5 p -96.77 -5.16 39.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 0.736 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.604 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -87.76 -164.33 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . 22.1 p -124.05 43.43 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.604 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -94.27 145.64 30.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.625 1.203 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -172.95 11.48 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.975 0.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.2 p80 176.76 162.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.657 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 2.0 tttp -43.38 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.698 ' O ' ' C ' ' A' ' 43' ' ' ASN . 32.7 t80 -151.93 13.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.01 87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -48.38 160.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -171.57 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.812 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 24.2 mt-10 -44.44 -20.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.175 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.88 54.85 0.39 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.711 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 87.4 m-85 -98.53 135.67 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.24 68.43 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.711 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.5 m-30 -75.96 106.72 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -76.4 25.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 50' ' ' PHE . 15.4 m -125.01 156.65 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.74 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.6 t -88.03 148.24 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.831 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -73.06 172.84 7.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.831 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.99 158.12 99.2 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.99 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.661 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.2 m-85 -98.8 130.39 45.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.915 ' N ' ' O ' ' A' ' 80' ' ' PHE . 11.3 m-30 -110.29 121.16 44.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.622 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.23 132.1 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.128 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 31.0 t-105 -147.89 150.18 35.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.128 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 148.83 35.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.506 HG13 ' HB1' ' A' ' 19' ' ' ALA . 11.9 tt -113.28 120.3 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 64' ' ' SER . 62.0 mt -85.97 127.85 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -67.6 2.94 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -107.61 -11.17 15.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.18 41.41 17.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -126.56 -174.11 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.544 ' CG2' ' HB3' ' A' ' 22' ' ' ALA . 61.9 t -96.3 122.76 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.675 ' HH ' ' N ' ' A' ' 72' ' ' SER . 63.1 t80 -69.63 167.59 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.632 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 53.8 p -164.4 71.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.48 ' CA ' ' HA3' ' A' ' 34' ' ' GLY . . . -174.61 -154.91 11.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.672 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . -120.53 -23.21 2.9 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.675 ' N ' ' HH ' ' A' ' 68' ' ' TYR . 8.4 p -112.63 70.01 1.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.847 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.1 Cg_endo -75.0 52.37 3.04 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.616 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . 62.17 2.48 4.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.748 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . 93.39 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.689 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.03 135.57 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.607 1.192 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.745 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 2.9 mmt-85 -150.27 138.34 20.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 1.006 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -105.12 126.13 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.114 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -102.87 124.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.915 ' O ' ' N ' ' A' ' 57' ' ' TYR . 9.2 p90 -137.97 -161.45 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.75 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -134.54 -169.79 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.711 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 14.7 tt0 -88.19 13.29 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.75 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -104.13 -24.44 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.96 22.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.664 HE21 ' ND2' ' A' ' 83' ' ' ASN . 49.1 mt-30 -106.9 131.75 53.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.916 HD23 ' H ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -89.52 135.44 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.114 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.5 -43.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.916 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 175.57 -129.51 1.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.746 ' O ' ' N ' ' A' ' 103' ' ' CYS . 54.7 t -157.17 92.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.832 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -88.27 176.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.595 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.65 146.29 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.748 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 9.8 m-70 -72.46 10.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.657 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.503 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -49.17 86.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.53 37.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.698 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -50.94 -36.08 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.701 ' N ' HD22 ' A' ' 99' ' ' ASN . 13.0 t 137.17 40.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.72 -118.68 4.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.5 t-20 -95.03 -8.16 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.701 HD22 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.43 168.87 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.832 ' CD1' HG13 ' A' ' 90' ' ' ILE . 32.6 m-85 -120.64 172.23 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.062 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.668 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 23.4 m -164.59 134.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.4 mt-10 -50.03 131.69 23.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 13.5 m -53.83 -28.95 38.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 5' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.495 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -36.28 129.0 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.487 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.5 OUTLIER -129.38 -7.73 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.741 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 81.7 m-85 -133.92 84.07 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.3 m -93.22 104.43 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -81.28 63.11 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.384 1.053 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.36 -53.59 0.86 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.451 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 22.5 p -131.53 51.32 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.739 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -141.37 -175.62 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.64 61.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.23 97.01 4.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.487 ' HB2' ' N ' ' A' ' 3' ' ' ASP . 3.2 t -64.69 179.54 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.477 ' N ' ' OG ' ' A' ' 12' ' ' SER . 5.3 p -51.09 -17.34 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.5 t -81.96 -29.87 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.68 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.48 -42.92 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.607 ' CG1' ' HG ' ' A' ' 86' ' ' LEU . 72.7 t -52.13 -51.4 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 12.2 t -35.35 -55.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.03 -50.62 35.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -62.58 -41.65 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.607 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 8.9 mt-30 -60.06 -55.96 27.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -37.33 -34.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB1' ' CG2' ' A' ' 67' ' ' VAL . . . -72.25 -55.78 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.626 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.24 -42.13 87.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.638 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.5 t80 -67.48 -61.8 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 0.716 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.618 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -38.83 -60.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.59 HD23 ' C ' ' A' ' 32' ' ' THR . 2.2 tp -59.82 -32.86 71.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.823 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 49.9 t60 -67.61 -53.08 31.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 109.576 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.618 ' OE2' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -55.62 -27.18 48.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.15 -17.24 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.97 73.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.33 175.57 6.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.59 ' C ' HD23 ' A' ' 26' ' ' LEU . 24.3 p -129.43 171.89 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.723 HG21 ' CA ' ' A' ' 70' ' ' GLY . 2.3 m -125.6 134.3 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.66 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 75.65 -154.9 46.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 -14.97 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.692 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.3 m-20 -78.79 -158.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 30.8 p -128.88 52.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.692 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -104.56 142.88 25.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.626 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.6 Cg_endo -74.92 -167.0 5.27 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.037 -0.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.6 p80 -179.34 163.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.6 155.24 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.719 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.3 t80 -148.85 -34.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.84 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 54.09 -96.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.84 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.0 p-10 153.39 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.802 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.54 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.649 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 mt-10 -46.19 -18.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.19 54.99 0.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.769 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 88.2 m-85 -101.5 134.64 44.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.26 66.52 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -70.1 94.97 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.13 29.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.629 HG22 ' OD1' ' A' ' 81' ' ' ASN . 20.8 m -121.66 160.27 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.663 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.9 t -89.6 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.778 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -64.71 170.22 4.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.075 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.778 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.95 159.04 98.58 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.975 -2.511 . . . . 0.0 111.018 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.557 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 19.7 m-85 -99.95 117.14 33.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.918 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -98.73 131.44 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.644 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 11.9 pt-20 -101.64 130.21 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.935 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.5 t-105 -140.71 145.82 41.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.935 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 139.01 23.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.568 HG13 ' HB1' ' A' ' 19' ' ' ALA . 5.8 tt -112.55 113.51 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.6 mt -82.81 124.99 30.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -53.88 -21.4 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -15.77 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.18 34.5 29.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.59 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.49 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 25.1 t -102.38 103.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.819 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 36.8 t80 -42.32 144.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 60.2 p -98.22 27.23 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.723 ' CA ' HG21 ' A' ' 33' ' ' VAL . . . 67.74 158.38 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.504 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 135.11 -127.94 4.56 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -117.7 73.44 8.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.819 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.98 5.09 4.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.705 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -32.41 112.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.714 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . 146.23 -56.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.577 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 66.9 m-20 -130.71 121.88 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.593 ' NH1' ' N ' ' A' ' 74' ' ' GLY . 1.8 mmm-85 -148.05 139.21 23.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.767 ' N ' ' O ' ' A' ' 59' ' ' TRP . 2.4 m -110.27 131.2 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.901 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.1 t -105.54 136.88 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -148.21 -165.42 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.854 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.48 -168.63 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.638 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 6.6 tp10 -89.09 27.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.088 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -112.67 -27.18 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.359 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.12 22.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.088 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.0 mt-30 -98.68 -173.52 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 88' ' ' GLY . 1.2 tm? -132.93 128.25 36.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.901 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.97 -36.43 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.191 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.799 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 166.21 -142.13 7.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.791 ' O ' ' N ' ' A' ' 103' ' ' CYS . 83.2 t -147.49 89.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.628 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -83.68 165.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.714 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.63 153.73 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.639 ' NE2' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m-70 -78.83 -6.3 55.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -34.19 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.22 37.56 0.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.69 -15.45 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.62 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.1 t 96.94 41.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.454 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 123.63 -130.75 7.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.2 t-20 -95.19 5.46 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.594 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -70.48 158.95 35.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.628 ' CD1' HG13 ' A' ' 90' ' ' ILE . 17.1 m-85 -112.52 164.85 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.611 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 33.8 m -161.64 134.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.364 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -56.52 124.49 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.5 m -54.91 -167.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.545 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -160.4 131.88 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 108.258 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.582 ' N ' ' OG ' ' A' ' 12' ' ' SER . 2.3 m-20 -129.72 -9.03 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.752 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 85.7 m-85 -132.07 72.05 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.467 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.7 m -83.11 103.71 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 16.8 m -80.88 61.26 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.324 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 -55.63 0.79 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 28.5 p -127.32 49.81 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 110.065 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.726 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -141.93 -175.78 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 1.5 t -176.95 61.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.752 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.5 97.85 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.062 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 3.7 m -61.16 179.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.949 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -16.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 t -82.63 -29.93 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.668 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -83.73 -40.12 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.651 ' CG1' HG22 ' A' ' 78' ' ' VAL . 96.9 t -56.56 -48.5 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.574 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -37.72 -53.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -46.95 -52.2 15.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.566 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.61 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 10.9 mt-30 -57.47 -56.2 25.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.47 -35.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -72.49 -56.82 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.616 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.52 -42.21 83.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.594 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 5.5 t80 -67.2 -63.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 22.3 tptm -38.94 -61.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.579 HD23 ' C ' ' A' ' 32' ' ' THR . 3.0 tp -57.44 -36.65 71.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.837 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 62.2 t60 -64.16 -50.54 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.583 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.87 -29.02 64.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -86.34 -15.42 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.73 21.55 78.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.3 mm-40 -97.7 174.37 6.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.382 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.579 ' C ' HD23 ' A' ' 26' ' ' LEU . 42.3 p -128.08 175.25 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.683 HG21 ' CA ' ' A' ' 70' ' ' GLY . 1.9 m -130.49 133.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 77.07 -155.47 44.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.41 -15.74 26.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.776 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -78.43 -155.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.494 ' H ' ' HB3' ' A' ' 36' ' ' ASN . 6.2 p -130.78 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.776 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.11 142.75 25.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.616 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.03 -168.24 6.32 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.005 0.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.597 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 33.4 p80 -177.8 163.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.602 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.27 157.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.693 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.2 t80 -150.24 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.829 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 53.07 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.829 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.4 p-10 153.64 176.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.806 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.39 -46.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.611 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.8 mm-40 -47.35 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.43 54.12 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.771 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 84.9 m-85 -99.45 133.59 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.31 65.72 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -71.15 95.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -72.24 29.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.068 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.621 HG22 ' OD1' ' A' ' 81' ' ' ASN . 18.8 m -121.98 160.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.672 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -91.11 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.755 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -63.42 169.24 4.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.755 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.03 158.54 98.9 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.965 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.4 m-85 -100.01 117.77 34.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.911 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.2 m-30 -99.31 133.03 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.641 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -102.93 130.4 49.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.94 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 23.9 t-105 -141.09 146.39 43.07 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.611 1.194 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.94 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.98 138.17 22.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.566 HG13 ' CB ' ' A' ' 19' ' ' ALA . 2.7 tt -110.67 116.18 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.9 mt -86.72 123.56 32.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.33 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -15.63 58.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 34.69 29.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.36 -178.0 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.496 HG21 ' HB1' ' A' ' 22' ' ' ALA . 29.4 t -103.33 103.0 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.816 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 39.3 t80 -43.09 146.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.687 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 32.9 p -99.12 28.11 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.683 ' CA ' HG21 ' A' ' 33' ' ' VAL . . . 63.66 156.5 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.465 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 139.13 -120.95 1.99 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.426 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -121.9 71.49 30.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.816 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.89 3.66 5.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.703 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -32.09 111.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.703 ' CB ' ' O ' ' A' ' 74' ' ' GLY . . . 146.48 -57.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.203 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.555 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 63.8 m-20 -130.05 121.21 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.631 ' HG3' ' CE1' ' A' ' 100' ' ' PHE . 1.7 mmm-85 -146.8 144.9 29.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.84 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -112.62 138.28 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.0 t -113.92 129.81 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.1 p90 -143.34 -163.67 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.884 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.29 -166.63 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.596 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 12.5 tt0 -90.5 23.22 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.09 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -109.07 -28.09 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.34 21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.09 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.1 mt-30 -96.83 -172.73 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.855 HD23 ' H ' ' A' ' 88' ' ' GLY . 1.5 tm? -133.4 127.31 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.962 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.03 -35.28 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.855 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 165.33 -142.47 7.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.807 ' O ' ' N ' ' A' ' 103' ' ' CYS . 81.0 t -147.39 91.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -84.0 164.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.694 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.94 160.4 24.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.61 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.6 m-70 -85.96 -6.39 59.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -31.89 90.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.4 40.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.723 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.41 -39.69 88.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 0.708 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.76 ' N ' HD22 ' A' ' 99' ' ' ASN . 13.2 t 136.91 42.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.48 -118.58 4.69 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.437 1.085 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.0 OUTLIER -94.73 -7.96 39.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.76 HD22 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.42 149.26 39.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.632 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 16.6 m-85 -105.8 167.5 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.632 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 31.4 m -163.14 134.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -56.1 124.35 17.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.3 m -56.1 -162.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 108.285 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.075 . . . . 0.0 110.349 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.562 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -160.23 126.19 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 108.262 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.491 ' N ' ' OG ' ' A' ' 12' ' ' SER . 9.1 m-20 -118.88 -10.13 9.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.796 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 88.3 m-85 -131.98 81.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.524 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.6 m -93.29 104.19 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -80.48 62.57 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.265 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.76 -53.94 0.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 35.2 p -130.13 50.92 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 0.823 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.733 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -141.31 -176.18 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.562 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -176.49 62.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.318 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.796 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.35 97.55 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 0.9 OUTLIER -60.43 176.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.972 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -17.98 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.77 -29.37 32.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.54 -40.42 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.539 ' CG1' ' CG2' ' A' ' 78' ' ' VAL . 78.1 t -55.7 -51.71 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.487 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 33.9 t -37.1 -52.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.15 -52.88 18.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -58.7 -42.39 88.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.6 ' HG2' HG23 ' A' ' 78' ' ' VAL . 13.8 mt-30 -57.01 -56.45 21.58 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.9 -37.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' CB ' ' CG2' ' A' ' 67' ' ' VAL . . . -68.25 -59.6 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.598 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.46 -37.98 68.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.731 ' OH ' ' C ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.56 -64.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptm -37.32 -62.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.58 HD23 ' C ' ' A' ' 32' ' ' THR . 2.0 tp -57.93 -35.72 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.2 t60 -65.89 -50.68 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.62 -26.64 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -16.97 29.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.215 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.94 22.18 72.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.416 1.073 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 7.3 mm-40 -98.24 176.13 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.58 ' C ' HD23 ' A' ' 26' ' ' LEU . 20.7 p -129.6 168.01 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.722 HG21 ' CA ' ' A' ' 70' ' ' GLY . 1.3 m -124.15 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.749 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 80.65 -156.76 39.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -92.01 -13.46 30.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.698 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -82.01 -157.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.464 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 95.7 p -127.5 51.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.698 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -103.14 142.84 25.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.598 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.027 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.604 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.6 p80 -177.89 168.63 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.491 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.9 tppp? -54.3 156.05 3.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.728 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -149.29 -34.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.818 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 54.3 -99.49 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.818 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.1 p-10 154.05 173.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 172.74 -46.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.949 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.596 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -47.02 -17.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.98 54.09 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.77 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 84.8 m-85 -99.16 130.43 45.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.55 63.65 4.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.77 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -67.84 93.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -68.31 29.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.645 ' H ' ' C ' ' A' ' 50' ' ' PHE . 6.8 m -127.2 157.67 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.625 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 60.8 m -87.59 141.75 28.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.83 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -65.6 172.01 3.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.83 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 159.58 97.78 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.7 m-85 -101.49 116.34 32.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.998 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -98.22 142.86 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.711 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.5 pp20? -106.08 142.42 35.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.937 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 34.8 t-105 -156.39 145.52 15.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 108.031 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.937 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 136.25 20.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.546 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 5.8 tt -109.65 113.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 68' ' ' TYR . 51.9 mt -85.9 124.59 32.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 p -55.59 -19.01 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -77.72 -17.5 57.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.25 37.88 20.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -112.15 -176.41 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.525 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 25.7 t -106.11 100.49 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.811 ' CE2' ' HG3' ' A' ' 73' ' ' PRO . 19.9 t80 -45.02 148.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.749 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 31.7 p -98.28 18.41 16.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.722 ' CA ' HG21 ' A' ' 33' ' ' VAL . . . 70.96 155.9 1.87 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.553 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 141.81 -118.44 1.32 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.476 ' N ' ' HH ' ' A' ' 68' ' ' TYR . 1.5 m -121.02 67.78 16.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.948 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.811 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 6.14 3.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.737 ' HA2' ' CD2' ' A' ' 92' ' ' HIS . . . -33.61 112.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.696 ' CB ' ' O ' ' A' ' 74' ' ' GLY . . . 146.62 -60.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.546 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 53.8 m-20 -125.96 121.17 32.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.582 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.4 OUTLIER -145.77 144.93 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.858 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.49 138.3 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.415 1.072 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.2 t -114.88 134.36 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.998 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -147.31 -167.16 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.748 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -131.41 -172.15 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.731 ' C ' ' OH ' ' A' ' 24' ' ' TYR . 6.1 tt0 -88.18 13.64 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.077 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.81 -22.9 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.72 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 103.94 26.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.077 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.0 mt-30 -110.03 133.55 53.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.533 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.33 131.69 34.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.9 -39.31 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 166.03 -142.59 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.795 ' O ' ' N ' ' A' ' 103' ' ' CYS . 90.7 t -143.49 92.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.437 0.728 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 1.1 pt -84.56 164.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.211 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.703 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -158.04 151.34 23.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.879 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.2 m-70 -77.19 -9.57 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.63 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -32.36 74.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.879 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 65.16 -58.69 0.09 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.696 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . 45.8 7.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 0.808 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.685 ' H ' ' C ' ' A' ' 94' ' ' GLY . 2.2 t 82.79 10.52 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.061 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 162.35 -138.28 5.3 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.71 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.9 t-20 -94.53 -2.95 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.239 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.696 ' ND2' ' O ' ' A' ' 95' ' ' ALA . 6.7 p30 -62.51 -169.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.637 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 50.1 m-85 -129.09 166.39 19.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.637 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 17.5 m -164.13 134.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.499 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -54.2 124.9 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.7 m -53.51 -171.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.656 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -102.77 62.17 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 108.341 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.49 -28.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.767 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 80.3 m-85 -141.33 113.91 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.58 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 6.9 m -122.6 106.83 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 29.6 m -80.6 68.14 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.16 -48.66 3.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.597 1.186 . . . . 0.0 111.066 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.5 p -158.23 49.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.07 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.778 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -123.1 -166.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.656 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.2 t -171.96 78.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.879 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.44 53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 5.3 p -28.74 152.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 p -39.28 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.1 t -81.72 -25.69 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.879 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -83.08 -21.59 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.767 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 26.9 t -74.52 -71.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.511 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 15.5 t -41.46 -53.33 3.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -48.65 -48.64 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -59.51 -44.57 93.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.737 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 6.9 mt-30 -62.9 -58.24 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.57 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.518 ' CB ' ' CG2' ' A' ' 67' ' ' VAL . . . -72.03 -55.9 6.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.07 -44.34 94.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 4.2 t80 -65.33 -63.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.9 tptp -38.07 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 32' ' ' THR . 4.8 tp -56.38 -36.77 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.836 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.0 t60 -63.85 -50.29 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.597 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -58.05 -27.77 63.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.05 -15.06 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.65 24.42 76.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.2 mm-40 -101.86 176.88 5.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.576 ' C ' HD23 ' A' ' 26' ' ' LEU . 74.8 p -129.03 176.57 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.66 ' C ' ' O ' ' A' ' 69' ' ' SER . 2.4 m -130.15 129.98 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.69 -150.8 36.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.71 -10.47 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -80.87 -164.12 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 3.8 p -126.38 46.18 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.8 m-85 -99.21 144.19 27.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.58 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -74.99 -171.07 8.88 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.979 -0.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -177.33 157.98 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -46.11 150.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.696 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -142.67 -34.55 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.808 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 55.68 -96.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.808 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.9 p-10 152.84 178.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.227 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 173.45 -47.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 7.2 mt-10 -47.29 -17.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.475 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.03 53.65 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.093 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.832 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 92.4 m-85 -96.2 133.05 40.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.32 61.43 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.832 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.1 m-30 -66.79 97.51 0.47 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.152 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.7 p -73.98 25.46 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.585 HG22 ' OD1' ' A' ' 81' ' ' ASN . 27.0 m -116.71 161.23 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.679 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.2 m -89.62 136.24 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.781 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.23 170.39 5.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.971 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.781 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.09 157.75 99.32 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.036 0.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.594 ' CD2' ' HD2' ' A' ' 50' ' ' PHE . 20.5 m-85 -97.89 121.39 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.907 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -101.26 133.09 46.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.601 1.188 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 6.9 pt-20 -100.54 135.85 41.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.4 t-105 -151.0 149.67 25.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 107.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 154.37 42.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.538 HG13 ' HB1' ' A' ' 19' ' ' ALA . 15.5 tt -119.29 115.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 68' ' ' TYR . 89.7 mt -83.41 124.27 30.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.3 p -57.73 -12.14 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -91.89 -11.94 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.99 37.2 33.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' HB2' HD11 ' A' ' 62' ' ' LEU . 84.3 m-20 -114.08 -174.11 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.518 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 50.0 t -100.27 109.53 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.78 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 22.9 t80 -43.85 170.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' C ' ' A' ' 33' ' ' VAL . 48.0 p -95.81 -52.5 4.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.694 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 143.08 151.2 5.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.65 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 94.09 -108.44 3.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.62 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.6 t -102.31 96.8 7.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.036 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.854 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.4 Cg_endo -74.95 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.561 1.822 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 76' ' ' ASP . . . 155.96 45.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.712 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . 68.19 -49.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.694 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.1 m-20 -56.66 128.23 35.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.854 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -151.24 136.53 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 1.01 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -101.96 130.94 50.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.009 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.1 t -106.76 129.0 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.907 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.4 p90 -143.01 -162.33 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.885 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -135.05 -164.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.568 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.18 21.1 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.247 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.094 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -106.18 -28.24 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.74 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 108.25 19.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.094 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.3 mt-30 -95.58 -173.33 2.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.907 HD23 ' H ' ' A' ' 88' ' ' GLY . 1.5 tm? -136.7 128.12 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.009 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.41 -32.8 64.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.907 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 159.8 -147.24 14.14 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.675 ' O ' ' N ' ' A' ' 103' ' ' CYS . 45.6 t -139.14 92.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 42' ' ' TYR . 1.1 pt -84.29 167.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.675 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.98 143.74 12.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.353 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.712 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 5.3 m-70 -73.6 23.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.566 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -57.8 82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.09 37.2 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.768 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -69.64 -4.24 18.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.768 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 19.5 t 122.8 29.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 96.71 -93.1 1.44 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.424 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -94.88 16.6 15.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.753 ' ND2' ' HB3' ' A' ' 96' ' ' SER . 4.5 m-20 -84.78 163.49 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 25.1 m-85 -126.1 160.27 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.614 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 24.0 m -162.92 132.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.47 122.18 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 82.0 m -53.9 -171.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.383 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.761 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -161.28 123.02 2.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -136.07 -7.99 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.675 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 88.3 m-85 -132.48 92.3 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.439 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 16.2 m -100.45 107.85 19.68 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.2 m -84.18 65.18 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 -53.19 0.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.458 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -131.37 53.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 0.745 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.745 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.45 -176.01 4.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.761 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.14 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 0.0 108.253 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.716 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.66 100.46 6.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.45 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 58.5 p -64.11 179.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.92 -17.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -80.7 -30.6 36.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.716 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.29 -40.11 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG13 ' OE1' ' A' ' 20' ' ' GLN . 78.8 t -54.74 -51.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.561 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 43.6 t -36.21 -54.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.944 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.63 -50.46 24.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.453 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.516 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.0 -41.69 97.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.366 1.041 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.606 ' OE1' HG13 ' A' ' 16' ' ' VAL . 6.9 mt-30 -60.26 -59.43 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.95 -39.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' CB ' ' CG2' ' A' ' 67' ' ' VAL . . . -69.18 -57.12 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.718 ' O ' ' HB2' ' A' ' 27' ' ' HIS . . . -55.79 -47.94 75.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.672 ' CE2' ' OE1' ' A' ' 28' ' ' GLU . 6.4 t80 -53.74 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.5 tptp -41.44 -65.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.555 ' CD2' ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -55.53 -28.7 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.877 ' CD2' ' CD2' ' A' ' 57' ' ' TYR . 73.8 t60 -73.04 -52.86 12.79 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.672 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -55.34 -26.32 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.27 -13.14 55.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.13 21.28 79.25 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' HD13 ' A' ' 26' ' ' LEU . 69.0 mm-40 -106.56 169.44 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -131.54 157.78 42.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.874 ' HB ' ' C ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -72.61 122.57 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.642 ' O ' ' CB ' ' A' ' 35' ' ' SER . . . -46.41 104.36 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.424 1.077 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.85 ' HB2' ' CA ' ' A' ' 70' ' ' GLY . 2.7 m 147.64 -29.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.783 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.77 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 2.8 m-20 -152.4 -162.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.503 ' C ' ' CG2' ' A' ' 32' ' ' THR . 19.1 p -112.61 35.29 3.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.699 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.6 OUTLIER -97.78 144.92 28.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.565 ' HG2' ' HB2' ' A' ' 27' ' ' HIS . 18.4 Cg_endo -74.89 -169.33 7.21 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.004 -0.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.584 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.0 p80 178.96 165.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 2.9 ttpm? -49.1 168.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.749 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 19.1 t80 -154.72 13.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 6.3 m-80 -10.49 87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.791 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -47.47 168.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 178.73 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -45.87 -20.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.24 55.82 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.731 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 82.5 m-85 -100.89 133.08 45.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.37 71.23 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.726 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -79.28 104.96 10.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -75.5 26.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 50' ' ' PHE . 16.3 m -124.12 161.92 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.731 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 75.1 m -88.52 153.37 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.793 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -83.27 171.29 11.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.075 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.793 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.95 159.65 97.69 Favored 'Cis proline' 0 C--N 1.359 1.083 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.956 0.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.624 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 23.2 m-85 -97.4 133.79 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.877 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 11.6 m-30 -113.19 130.18 56.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.6 pp20? -97.28 142.53 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 21.8 t-105 -155.53 149.11 18.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.0 148.75 35.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.646 HD12 ' CD2' ' A' ' 11' ' ' TYR . 7.2 tt -118.69 113.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 68' ' ' TYR . 86.9 mt -83.51 116.51 22.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.6 p -54.42 -14.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -84.11 -14.62 49.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 33.44 25.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -108.87 -172.42 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.769 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 32.7 t -114.6 114.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.766 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 5.1 t80 -40.02 164.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.874 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 27.4 p -114.56 -9.03 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.85 ' CA ' ' HB2' ' A' ' 35' ' ' SER . . . 121.19 178.96 16.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.794 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 72.43 -145.3 37.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.706 ' C ' ' OH ' ' A' ' 68' ' ' TYR . 28.8 m -89.8 106.52 14.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.953 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.09 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.564 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 119.3 -101.92 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.778 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -140.7 -43.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 0.818 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.716 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 5.0 m-20 -61.53 132.48 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.716 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 10.0 mmt-85 -153.25 146.97 25.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.742 ' N ' ' O ' ' A' ' 59' ' ' TRP . 5.1 m -113.83 135.35 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.881 ' O ' ' N ' ' A' ' 87' ' ' ALA . 70.6 t -111.58 137.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.852 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 5.8 p90 -145.81 -153.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.83 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -141.31 -163.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.599 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.26 17.06 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.83 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -104.8 -29.84 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.735 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 110.5 19.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.852 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 55.8 mt-30 -94.28 -176.64 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.241 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.59 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.42 127.0 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.881 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.22 -41.72 66.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.04 -135.17 3.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.816 ' O ' ' N ' ' A' ' 103' ' ' CYS . 47.0 t -150.75 92.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.586 HD11 ' CE2' ' A' ' 42' ' ' TYR . 2.0 pt -87.15 166.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.778 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.13 150.69 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.666 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.7 m170 -75.54 11.88 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -46.88 89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.96 42.4 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.65 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.22 -11.18 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 0.72 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.6 t 98.18 47.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.4 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 120.87 -131.63 8.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.21 7.78 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.591 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -70.35 161.35 30.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 19.1 m-85 -114.27 167.01 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.626 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 31.0 m -162.86 133.9 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -55.37 125.29 20.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.152 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 99.5 m -55.34 -168.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.378 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.73 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -164.01 121.08 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.617 1.198 . . . . 0.0 108.34 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -137.57 -3.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.689 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 83.5 m-85 -137.32 91.5 2.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.462 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 6.3 m -101.13 106.8 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.165 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 6.3 m -83.13 66.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.06 -52.34 0.56 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.438 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -132.22 52.76 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.779 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.87 -176.83 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.73 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -177.21 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.689 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.26 100.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.482 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 28.6 p -64.04 178.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -50.77 -17.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.043 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.0 t -81.09 -30.01 34.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -83.9 -39.45 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.662 ' CG1' HG22 ' A' ' 78' ' ' VAL . 92.0 t -58.74 -49.55 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.547 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 7.6 t -35.91 -52.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.965 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -51.93 31.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -60.83 -41.73 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.6 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 11.0 mt-30 -57.49 -54.68 44.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -35.57 -39.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.508 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . -74.7 -49.4 21.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.578 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.17 -41.99 54.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -76.38 -66.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -37.19 -56.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.778 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 11.5 tp -62.59 -36.98 84.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 25.9 t60 -64.17 -45.33 88.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.523 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.65 -24.29 66.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 10.8 m-20 -83.91 -22.83 31.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.85 22.32 69.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.667 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 5.2 mm-40 -101.2 175.16 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.7 p -126.59 -177.87 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.778 ' CG1' ' CD2' ' A' ' 26' ' ' LEU . 13.8 m -136.4 127.93 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.599 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 76.18 -144.45 30.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -97.03 -14.69 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.605 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -75.39 -165.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -125.4 43.24 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.056 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.605 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -97.84 147.34 32.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.578 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.02 -169.91 7.79 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.987 -0.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.647 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.4 p80 177.94 162.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.622 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -47.44 163.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.729 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 2.3 t80 -154.84 -40.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.821 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 1.8 m-80 61.19 -95.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.821 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.0 p-10 153.82 171.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.788 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.94 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.722 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.13 -19.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.76 52.95 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.832 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 97.6 m-85 -95.58 133.87 39.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.89 57.22 2.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.832 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -60.6 93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -71.62 24.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.637 HG22 ' OD1' ' A' ' 81' ' ' ASN . 22.3 m -114.75 160.95 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.694 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -89.31 139.32 30.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.786 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.6 p -68.93 169.62 10.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.786 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.98 159.53 97.88 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.037 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.581 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.3 m-85 -99.8 121.63 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.892 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.0 m-30 -100.54 130.98 46.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.729 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.6 pt-20 -99.76 132.32 45.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.004 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 39.1 t-105 -145.4 145.93 28.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.004 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.94 149.49 37.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.411 1.742 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.519 ' HB ' HG11 ' A' ' 78' ' ' VAL . 6.6 tt -117.77 118.8 59.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 68' ' ' TYR . 88.6 mt -87.65 119.34 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -59.55 -9.83 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.21 -19.38 28.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.04 35.35 9.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -113.89 -172.57 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.508 ' CG2' ' HB3' ' A' ' 22' ' ' ALA . 26.7 t -109.8 111.01 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.895 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 16.1 t80 -40.16 146.26 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.563 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 57.0 p -157.84 66.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.626 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -166.18 -143.54 3.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.687 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.7 -33.51 0.65 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 74' ' ' GLY . 13.0 p -116.22 82.93 12.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.039 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.645 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 43.66 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 72.28 -102.04 1.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.098 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.58 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -150.18 -36.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.646 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 4.4 m-20 -60.64 129.64 42.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.646 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 6.2 mmt-85 -147.96 143.31 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.815 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -109.67 141.13 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.7 t -118.37 134.66 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.385 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.892 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -147.07 -161.09 1.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.853 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.81 -162.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.6 17.5 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.08 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.91 -30.77 10.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.734 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 109.85 20.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.08 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.3 mt-30 -92.48 -171.8 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.756 HD23 ' H ' ' A' ' 88' ' ' GLY . 2.0 tm? -133.42 125.88 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.25 -31.84 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.756 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 157.52 -149.44 20.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.766 HG11 ' SG ' ' A' ' 103' ' ' CYS . 8.8 t -139.92 95.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.743 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -93.5 161.33 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.754 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -146.35 142.41 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.653 ' HA ' ' O ' ' A' ' 99' ' ' ASN . 7.3 m170 -60.81 17.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.754 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.2 m -85.54 172.62 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.45 63.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.646 ' N ' ' O ' ' A' ' 93' ' ' THR . . . -137.59 67.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.7 t -56.36 -13.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . -113.41 -87.15 1.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 1.299 ' O ' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -91.27 81.05 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.693 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -26.34 52.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 1.299 ' N ' ' O ' ' A' ' 98' ' ' ASN . 16.8 m-85 -153.96 144.58 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.698 ' H ' ' H ' ' A' ' 91' ' ' THR . 3.7 m -169.82 130.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -47.03 112.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.165 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.5 m -53.99 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.404 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.504 ' N ' ' CB ' ' A' ' 12' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.614 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -168.03 137.7 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.89 -34.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.743 ' CE2' ' CG2' ' A' ' 16' ' ' VAL . 73.4 m-85 -121.23 127.33 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.631 ' O ' ' HB3' ' A' ' 103' ' ' CYS . 1.9 m -120.07 110.79 17.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.706 ' H ' ' HB2' ' A' ' 9' ' ' ASN . 21.1 m -85.79 62.86 7.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.2 -54.84 1.48 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 79.8 p -127.89 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.746 ' CB ' ' CZ ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -144.96 -177.45 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -179.09 77.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 108.271 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CZ ' ' CB ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -94.25 126.73 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -73.79 158.73 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.0 p -43.27 -22.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.49 ' N ' ' C ' ' A' ' 12' ' ' SER . 32.4 t -80.17 -22.38 42.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.723 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -81.92 -22.95 36.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.748 HG12 ' CD2' ' A' ' 86' ' ' LEU . 19.2 t -75.04 -71.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.516 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -39.81 -55.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -46.64 11.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -61.94 -44.12 97.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.693 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 9.8 mt-30 -59.85 -58.14 9.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.35 -38.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.486 ' CB ' HG23 ' A' ' 67' ' ' VAL . . . -75.97 -50.82 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.648 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -54.2 -42.2 72.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.405 1.066 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -77.77 -63.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 111.041 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.8 tptp -34.71 -62.31 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD23 ' C ' ' A' ' 32' ' ' THR . 5.1 tp -58.65 -39.03 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.827 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 47.3 t60 -61.87 -48.46 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -61.26 -26.35 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.21 -19.06 27.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.24 23.63 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 22.6 mm-40 -99.52 171.53 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 0.806 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.586 ' C ' HD23 ' A' ' 26' ' ' LEU . 71.3 p -124.11 -179.06 4.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.681 HG22 ' CH2' ' A' ' 59' ' ' TRP . 1.8 m -141.72 128.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.496 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 82.64 -147.93 25.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -96.61 -14.72 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.475 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -80.76 -164.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -123.78 44.19 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.528 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.2 m-30 -94.63 147.4 33.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.648 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.02 -170.93 8.73 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.929 0.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 28.9 p80 179.23 169.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.662 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -52.14 159.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.77 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.4 t80 -154.29 -38.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.827 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 58.27 -95.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.8 p-10 153.33 168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -177.06 -49.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.87 -19.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.08 54.25 0.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.825 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 97.6 m-85 -95.29 134.31 38.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 12.3 m-30 -64.0 93.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -73.01 24.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.592 HG22 ' OD1' ' A' ' 81' ' ' ASN . 18.4 m -116.16 160.9 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.667 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 t -89.24 138.91 31.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.819 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.53 171.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.819 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.04 159.17 98.36 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.987 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.4 m-85 -99.93 117.17 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.1 m-30 -98.98 135.07 40.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.604 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.3 pp20? -99.22 144.84 27.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.986 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 35.7 t-105 -160.97 147.03 11.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.986 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.09 156.22 42.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.428 1.752 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.551 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 18.7 tt -119.67 126.26 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.701 HD22 ' CE1' ' A' ' 68' ' ' TYR . 65.6 mt -90.31 123.51 34.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -60.44 -7.95 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -96.63 -7.42 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.478 ' C ' HD13 ' A' ' 62' ' ' LEU . 2.6 m-20 -113.84 -164.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.486 HG23 ' CB ' ' A' ' 22' ' ' ALA . 24.0 t -110.61 123.69 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.939 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -73.69 139.54 45.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' HG21 ' A' ' 33' ' ' VAL . 32.0 p -111.36 -81.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.402 1.064 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . . . -33.26 150.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.496 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.12 -15.23 60.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -109.8 95.28 19.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.597 0.822 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 1.071 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -86.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 76' ' ' ASP . . . 173.5 60.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.56 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . 56.66 -51.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.836 ' N ' ' O ' ' A' ' 74' ' ' GLY . 5.2 m-20 -56.15 126.4 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 1.071 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -148.78 139.78 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.93 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -107.91 134.18 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -108.2 140.61 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.996 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 8.6 p90 -151.09 -164.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.87 ' ND2' HD22 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -134.31 -168.4 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.506 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.3 tt0 -89.56 18.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.089 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.42 -26.04 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.26 20.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.089 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.9 mt-30 -99.95 -178.08 3.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.748 ' CD2' HG12 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -131.31 131.11 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.868 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.03 -34.46 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.82 -152.48 23.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.15 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.651 ' O ' ' N ' ' A' ' 103' ' ' CYS . 50.1 t -132.52 92.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.6 HD11 ' CE2' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -84.48 163.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.788 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -154.95 141.66 18.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.61 ' HA ' ' O ' ' A' ' 99' ' ' ASN . 10.0 m170 -58.26 27.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.788 ' H ' ' C ' ' A' ' 91' ' ' THR . 2.9 m -92.29 168.94 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.52 63.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 93' ' ' THR . . . -135.08 68.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -56.88 -12.9 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.058 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -114.8 -85.43 1.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 1.284 ' O ' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -91.55 81.06 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.627 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -26.68 52.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 109.324 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 1.284 ' N ' ' O ' ' A' ' 98' ' ' ASN . 15.9 m-85 -153.02 142.64 21.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.731 ' H ' ' H ' ' A' ' 91' ' ' THR . 3.6 m -168.53 130.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -47.88 112.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.651 ' N ' ' O ' ' A' ' 89' ' ' VAL . 62.8 m -53.37 -170.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.547 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -119.6 57.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 108.333 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -38.03 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.859 ' HB3' HG12 ' A' ' 89' ' ' VAL . 94.0 m-85 -137.96 114.25 10.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.688 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -123.82 107.2 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.0 m -82.42 64.96 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.15 -53.28 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 111.084 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -149.19 48.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.765 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.54 -168.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.547 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 43.6 t -172.05 74.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 108.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.872 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.0 m-85 -87.08 47.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -26.65 151.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 53.7 p -38.87 -23.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.058 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -81.93 -25.57 34.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.085 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.872 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.95 -22.3 29.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.832 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 39.5 t -75.07 -71.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.8 t -37.2 -50.74 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -47.72 -51.11 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -63.02 -42.41 99.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.184 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.648 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 4.9 mt-30 -58.96 -58.43 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.04 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -80.0 -50.14 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.68 -43.16 99.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -72.69 -62.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 0.82 . . . . 0.0 111.038 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 18.9 tptm -36.58 -61.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.614 HD23 ' C ' ' A' ' 32' ' ' THR . 2.6 tp -58.28 -37.34 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 60.5 t60 -64.23 -49.16 73.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.587 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.51 -25.74 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.57 -18.27 26.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.32 23.71 67.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 15.0 mm-40 -99.02 173.76 6.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.614 ' C ' HD23 ' A' ' 26' ' ' LEU . 82.6 p -124.31 -179.6 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.702 HG22 ' CH2' ' A' ' 59' ' ' TRP . 1.4 m -141.78 131.0 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.54 -154.51 38.34 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t -96.21 17.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.7 m-20 -113.71 -166.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.9 p -120.76 41.71 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.943 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.512 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.3 m-30 -93.97 147.78 34.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.078 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.597 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.05 -169.34 7.27 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.961 0.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.572 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 176.65 167.64 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.543 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -49.08 163.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.776 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 12.2 t80 -152.02 12.36 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.693 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -8.92 84.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.758 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -50.73 168.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.758 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.18 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 111.061 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.51 -20.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.504 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.39 55.46 0.36 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.707 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 83.2 m-85 -99.55 130.22 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.33 59.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 21.8 m-30 -58.78 113.23 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -61.42 0.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 1.082 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.549 ' H ' ' C ' ' A' ' 50' ' ' PHE . 15.6 m -111.47 151.19 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 1.07 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 36.1 t -86.97 172.25 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.735 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 17.4 p -79.82 164.08 55.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.773 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.05 172.97 60.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.932 0.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.64 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.8 m-30 -116.75 126.84 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.999 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.6 m-30 -112.72 118.25 34.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -78.63 137.73 37.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.892 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 51.0 t-105 -158.2 144.17 12.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.977 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 146.67 33.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.834 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 12.5 tt -112.84 120.86 63.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.811 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 41.7 mt -84.63 124.06 31.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 0.62 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -104.13 -7.14 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.62 38.91 42.36 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.524 1.14 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.508 ' C ' HD11 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -114.39 -161.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.257 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.498 HG23 ' CB ' ' A' ' 22' ' ' ALA . 13.1 t -117.21 120.5 65.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.977 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -71.01 108.36 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.513 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 3.7 p -108.22 37.11 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.58 156.27 26.17 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.489 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -77.37 -16.06 80.83 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -114.99 81.85 8.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.783 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -45.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 144.24 -118.59 1.18 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . -117.67 -45.9 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.603 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 m-20 -60.87 126.61 28.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.74 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.94 144.99 29.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.871 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -109.8 157.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.33 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 73.0 t -137.9 89.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.999 ' O ' ' N ' ' A' ' 57' ' ' TYR . 15.8 p90 -100.2 -160.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.07 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -134.7 -165.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.685 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 11.3 tt0 -90.84 13.91 15.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.091 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -104.9 -22.45 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.87 20.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.091 HE21 ' ND2' ' A' ' 83' ' ' ASN . 28.3 mt-30 -105.89 115.69 30.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.832 ' HB3' ' CG1' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -99.01 146.25 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -154.5 -34.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 1.33 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -60.48 51.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.949 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.4 t -78.88 34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.913 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.83 175.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.723 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.95 154.12 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.0 m170 -85.31 4.13 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.662 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.41 -20.86 31.17 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.539 ' O ' ' CG2' ' A' ' 101' ' ' VAL . . . -123.69 36.07 3.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.613 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . . . -131.15 -44.36 1.03 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 0.793 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t 76.29 55.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.41 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 147.6 -134.77 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.518 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.3 OUTLIER -93.51 -9.81 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.707 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.81 159.06 26.15 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.913 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.0 m-85 -122.3 164.02 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.709 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 34.5 m -162.3 125.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 2.0 pt-20 -52.6 123.14 10.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 98.9 m -50.72 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 108.258 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.55 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -113.8 60.69 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.17 . . . . 0.0 108.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.17 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.968 ' HB3' HG12 ' A' ' 89' ' ' VAL . 97.0 m-85 -138.44 110.9 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.895 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.45 105.94 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.111 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.4 m -80.92 61.74 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.67 -46.18 3.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.7 p -155.19 47.03 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 0.0 110.047 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.741 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -124.78 -167.83 1.73 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 45.6 t -171.96 75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.85 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.9 m-85 -88.85 49.51 1.8 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.807 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -28.39 152.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.5 p -38.91 -22.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' SER . 22.2 t -82.45 -25.6 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.85 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.29 -20.82 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.82 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 36.2 t -74.89 -70.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.6 t -36.6 -44.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.069 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -54.34 30.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -60.5 -43.24 97.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.611 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 5.1 mt-30 -58.53 -58.02 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -31.93 -37.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -79.78 -53.83 6.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -57.57 -43.96 94.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.668 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 3.0 t80 -68.78 -65.62 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 0.786 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.9 tptm -45.27 -53.73 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.777 HD23 ' CG1' ' A' ' 33' ' ' VAL . 56.7 tp -61.56 -33.46 73.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.888 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 59.6 t60 -67.7 -49.71 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.551 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.609 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.37 -23.5 64.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-20 -84.65 -22.09 30.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.43 77.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.587 ' CB ' HD13 ' A' ' 26' ' ' LEU . 39.3 mm-40 -97.89 175.07 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 42.3 p -129.31 178.05 6.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.777 ' CG1' HD23 ' A' ' 26' ' ' LEU . 4.2 m -136.38 128.01 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.559 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.65 -152.44 37.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.581 1.175 . . . . 0.0 111.044 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -96.41 18.34 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.546 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -108.07 -167.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.9 p -122.84 38.3 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.564 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.4 m-85 -94.7 144.57 28.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.589 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 -174.44 14.14 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.917 -2.535 . . . . 0.0 111.02 -0.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.613 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 174.16 165.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.09 165.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.703 ' O ' ' C ' ' A' ' 43' ' ' ASN . 22.4 t80 -149.99 12.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.703 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -6.56 84.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.776 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.6 p-10 -55.61 172.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.776 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.02 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.082 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.09 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.42 57.66 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.568 1.167 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.652 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 74.1 m-85 -102.7 130.6 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 59.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -57.73 115.35 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -61.4 1.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.578 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 14.0 m -114.29 149.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 1.006 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 8.4 t -88.36 168.6 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.785 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 76.1 p -72.33 163.37 67.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.785 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.94 173.0 60.1 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.042 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.614 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -118.47 124.84 48.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.985 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.9 m-30 -111.52 116.14 30.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.613 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 4.7 pt-20 -79.08 140.1 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.005 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 50.7 t-105 -161.5 146.61 10.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.187 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.028 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 143.57 28.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.746 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 12.7 tt -110.44 122.36 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.798 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 28.5 mt -88.35 120.9 30.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -63.21 -4.62 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -98.94 -5.73 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.02 37.66 56.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.494 ' C ' HD11 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -111.95 -162.54 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.478 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 19.4 t -119.12 120.74 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.028 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 1.4 m-85 -71.32 103.15 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.57 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 92.1 p -101.62 37.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.08 161.24 28.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.559 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -82.03 -11.97 81.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.4 t -115.46 76.57 5.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.95 -39.93 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.672 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 144.51 -110.69 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.61 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -129.52 -41.46 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.589 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.08 129.84 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.817 ' O ' ' O ' ' A' ' 88' ' ' GLY . 21.5 mmt-85 -147.26 144.76 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.87 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 1.3 m -106.98 158.14 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.354 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 75.5 t -139.52 79.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.985 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -90.89 -163.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.006 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -131.51 -166.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.673 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -90.55 16.64 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.791 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -107.06 -24.34 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.728 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 108.43 20.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.718 HE21 ' ND2' ' A' ' 83' ' ' ASN . 46.7 mt-30 -107.19 119.01 38.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.82 ' HB3' ' CG1' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -99.12 144.75 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.639 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -151.89 -35.85 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 1.354 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -62.16 52.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 1.121 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.9 t -80.94 33.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 0.79 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.911 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -65.21 175.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.723 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.79 152.9 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.0 m170 -75.19 10.45 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.492 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -49.26 89.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.21 42.84 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.646 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -61.33 -7.56 3.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.2 t 99.66 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.97 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.408 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 119.83 -131.29 8.85 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -95.9 9.09 41.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.582 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -69.45 165.79 20.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.911 ' CD1' HG13 ' A' ' 90' ' ' ILE . 16.7 m-85 -118.92 165.23 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.678 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.9 m -162.56 126.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.698 ' C ' ' H ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -49.89 131.91 22.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.121 ' HB2' ' CG1' ' A' ' 89' ' ' VAL . 56.9 m -60.1 5.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.698 ' H ' ' C ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.531 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -122.46 57.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.6 m-20 -37.47 -30.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.867 ' CD1' ' CG2' ' A' ' 89' ' ' VAL . 94.2 m-85 -138.31 114.53 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.727 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -124.73 107.22 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -82.33 64.65 7.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 108.306 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.8 -55.04 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.3 p -146.28 48.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -125.05 -169.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.531 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.0 t -172.17 74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.249 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.853 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.4 m-85 -87.39 47.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -27.26 152.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.6 p -39.39 -22.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.1 t -83.13 -24.76 32.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.853 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.96 -21.84 27.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.874 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 42.8 t -74.61 -71.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 21.0 t -36.87 -46.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.55 -53.17 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.507 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.34 -42.96 99.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.661 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 5.1 mt-30 -59.35 -58.9 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -32.96 -36.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -75.03 -55.1 6.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -59.49 -42.78 97.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.15 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.65 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.3 t80 -67.04 -61.24 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -41.48 -61.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD23 ' C ' ' A' ' 32' ' ' THR . 3.1 tp -57.27 -33.13 67.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 57.7 t60 -67.84 -51.78 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.541 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.624 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.4 -25.12 61.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 -18.47 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.73 24.25 70.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HB3' HD13 ' A' ' 26' ' ' LEU . 65.3 mm-40 -97.87 177.5 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.353 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.615 ' C ' HD23 ' A' ' 26' ' ' LEU . 63.8 p -127.25 176.83 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.364 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.711 HG22 ' CH2' ' A' ' 59' ' ' TRP . 2.9 m -138.11 132.65 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.518 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.94 -148.88 30.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.448 1.093 . . . . 0.0 111.054 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.11 -8.58 29.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -87.77 -164.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -123.44 45.29 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.8 m-85 -94.09 147.85 34.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.594 ' HD3' HD21 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 -169.98 7.85 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.042 -2.483 . . . . 0.0 110.931 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.641 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 24.5 p80 -179.53 168.37 1.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 19.7 ttpt -54.17 158.82 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.616 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -155.2 -38.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 110.979 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.85 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 3.5 m-80 57.85 -97.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.85 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.4 p-10 150.63 170.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -175.97 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 29.5 mt-10 -45.92 -16.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 108.26 54.48 0.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.57 1.169 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.781 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 93.4 m-85 -94.2 131.92 39.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.95 56.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.705 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 17.3 m-30 -55.69 102.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.41 0.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.593 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 17.9 m -108.59 151.26 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 1.127 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.9 m -85.76 170.03 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.754 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 11.3 p -77.0 164.63 57.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.803 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.07 174.19 54.0 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.986 0.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.539 ' HD2' ' O ' ' A' ' 43' ' ' ASN . 16.7 m-30 -118.41 112.48 20.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.029 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -100.74 123.06 44.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.641 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.6 pp20? -83.75 136.45 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.89 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 40.7 t-105 -157.44 145.98 14.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 108.01 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.014 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.671 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 9.3 tt -110.43 122.7 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.824 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 30.6 mt -90.1 119.97 30.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -4.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -100.2 -3.63 31.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.86 38.98 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.49 ' C ' HD11 ' A' ' 62' ' ' LEU . 1.1 m-20 -111.26 -163.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.505 HG23 ' CB ' ' A' ' 22' ' ' ALA . 17.0 t -118.45 119.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.014 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -72.34 128.93 37.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.543 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 p -155.39 65.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.4 -7.52 0.15 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.518 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 84.43 -27.07 4.8 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.67 82.25 6.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.987 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.878 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.542 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 143.67 -120.69 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.641 ' HB2' ' H ' ' A' ' 92' ' ' HIS . . . -114.26 -44.91 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.612 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.5 m-20 -61.92 128.88 38.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.905 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.98 150.95 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.896 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 2.0 m -113.2 157.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.231 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 80.5 t -140.01 83.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 1.029 ' O ' ' N ' ' A' ' 57' ' ' TYR . 11.5 p90 -94.23 -166.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.127 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -129.68 -166.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.659 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.3 tt0 -89.22 18.67 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.771 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -109.85 -25.48 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.733 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 109.32 20.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.686 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 49.6 mt-30 -104.66 118.51 36.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.874 ' HB3' ' CG1' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -100.7 133.17 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.594 ' N ' HD22 ' A' ' 86' ' ' LEU . . . -143.53 -16.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 1.231 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -74.37 45.69 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.96 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.6 t -76.05 33.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.892 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -67.16 174.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.662 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.54 154.6 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.641 ' H ' ' HB2' ' A' ' 75' ' ' ALA . 11.6 m170 -75.6 10.82 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -49.41 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.85 42.37 0.05 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.653 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -62.13 -6.51 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.4 t 99.63 47.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.046 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.58 -131.46 8.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.502 ' ND2' ' CE1' ' A' ' 92' ' ' HIS . 2.8 t-20 -96.61 10.73 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.572 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -70.54 168.08 17.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.892 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.7 m-85 -120.49 164.93 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.0 m -162.25 124.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 2.2 pt-20 -52.12 122.52 8.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -49.93 179.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.545 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -118.18 60.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 108.35 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.2 m-20 -38.36 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.875 ' CD1' ' CG2' ' A' ' 89' ' ' VAL . 92.2 m-85 -139.56 113.28 8.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 1.127 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.55 105.58 10.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.084 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.7 m -79.2 62.58 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 108.264 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.22 -49.04 4.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.9 p -151.98 49.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.741 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -126.53 -167.5 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 40.1 t -172.91 75.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.819 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.1 m-85 -88.06 50.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -27.9 151.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 55.1 p -38.86 -22.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' SER . 32.0 t -82.62 -25.3 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.819 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -86.3 -18.54 31.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.793 ' CG2' ' CD2' ' A' ' 4' ' ' TYR . 55.4 t -80.72 -70.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.4 t -37.87 -45.9 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -55.22 18.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.433 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.86 -44.0 94.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 1.066 ' OE1' ' HB3' ' A' ' 80' ' ' PHE . 2.4 mt-30 -58.28 -56.1 26.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -34.28 -30.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -87.25 -49.32 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.99 -44.97 96.59 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -70.56 -61.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 10.6 tptt -37.96 -60.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD23 ' C ' ' A' ' 32' ' ' THR . 2.2 tp -58.52 -35.89 72.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 67.7 t60 -66.02 -50.62 63.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.98 -26.98 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 110.388 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.48 -16.6 32.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.72 71.9 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 66.3 mm-40 -98.74 173.62 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 0.72 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.624 ' C ' HD23 ' A' ' 26' ' ' LEU . 20.8 p -127.09 176.76 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG22 ' CH2' ' A' ' 59' ' ' TRP . 1.3 m -129.38 128.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.34 -149.49 32.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -93.98 -16.66 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -77.26 -164.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' PRO . 19.5 p -125.21 47.28 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.7 m-85 -100.46 143.43 26.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.596 ' HD2' HD22 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -167.29 5.53 Favored 'Cis proline' 0 C--N 1.358 1.069 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 30.2 p80 176.57 172.45 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 2.0 tppm? -52.49 161.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.833 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 5.7 t80 -152.81 10.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -10.86 87.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.746 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -47.72 169.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.746 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.2 -43.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.59 -20.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.9 55.54 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.653 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 79.7 m-85 -101.27 131.71 47.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.27 60.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.649 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 18.3 m-30 -58.9 107.77 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -61.98 3.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 50' ' ' PHE . 10.0 m -110.47 154.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 1.171 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 35.1 m -86.57 172.85 9.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.793 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -91.83 169.79 10.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.59 1.182 . . . . 0.0 110.039 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.793 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.96 156.51 99.91 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.98 -0.03 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.612 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.2 m-85 -96.54 132.95 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.896 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.1 m-30 -114.55 118.03 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.648 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -81.79 142.67 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.989 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.4 t-105 -162.8 145.82 8.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.989 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.11 141.22 26.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.601 ' CD1' HG12 ' A' ' 78' ' ' VAL . 9.5 tt -110.55 115.29 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 68' ' ' TYR . 73.1 mt -87.04 122.51 30.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 p -58.72 -13.4 5.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.21 -12.55 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.25 39.32 31.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.0 -173.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.538 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 44.4 t -108.38 108.12 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.771 ' CD2' ' CG ' ' A' ' 60' ' ' PRO . 20.6 t80 -44.44 167.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.703 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.1 p -98.04 -43.16 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.705 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 131.98 149.9 6.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.596 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 99.47 -105.85 3.1 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.715 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 50.5 p -107.45 91.13 6.63 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.554 0.797 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.775 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -74.96 -26.22 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.774 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.57 -107.5 0.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.596 1.185 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.672 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -135.78 -45.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.524 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -63.91 127.34 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.774 HH12 ' N ' ' A' ' 74' ' ' GLY . 13.4 mmt-85 -143.66 145.48 32.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.815 ' HB ' ' CD1' ' A' ' 86' ' ' LEU . 28.7 m -113.8 147.32 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.41 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.4 t -131.91 91.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 1.066 ' HB3' ' OE1' ' A' ' 20' ' ' GLN . 14.6 p90 -99.64 -158.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.171 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -136.0 -161.87 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.579 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -92.89 11.86 25.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.328 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.071 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.73 -23.45 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 104.77 20.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.071 HE21 ' ND2' ' A' ' 83' ' ' ASN . 26.1 mt-30 -105.85 124.54 49.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.815 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 1.1 tt -92.57 153.21 19.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.5 ' CB ' HG21 ' A' ' 52' ' ' VAL . . . -160.58 -37.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 1.41 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -70.65 49.72 0.82 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 1.033 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -80.25 31.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.93 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -63.04 178.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.677 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -163.38 152.79 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.672 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . 11.2 m170 -75.49 5.01 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -43.09 87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.39 39.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 99' ' ' ASN . . . -70.24 79.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.414 ' CB ' HD21 ' A' ' 99' ' ' ASN . 1.7 t 44.95 18.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . 126.26 -112.44 1.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.591 ' ND2' ' CE1' ' A' ' 92' ' ' HIS . 2.7 t-20 -96.9 1.8 50.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.837 ' OD1' ' N ' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -61.94 164.7 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.93 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.1 m-85 -112.55 156.55 22.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 34.4 m -159.59 126.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.49 ' C ' ' N ' ' A' ' 104' ' ' THR . 0.1 OUTLIER -46.37 125.37 6.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.127 ' O ' ' O ' ' A' ' 5' ' ' THR . 52.6 m -55.49 -10.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.934 ' OG1' ' O ' ' A' ' 103' ' ' CYS . 18.3 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.402 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.528 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -120.73 59.34 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -39.97 -28.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.878 ' CD1' ' CG2' ' A' ' 89' ' ' VAL . 90.7 m-85 -139.48 112.27 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.714 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.2 m -123.76 105.84 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.4 m -81.03 65.34 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.11 -56.21 4.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.7 p -146.46 48.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 0.794 . . . . 0.0 110.069 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.45 -168.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 44.9 t -172.22 75.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 108.291 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.869 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-85 -88.32 48.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 15' ' ' ASP . 82.8 p -28.12 152.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.009 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.7 p -39.34 -22.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.9 t -82.68 -24.85 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.869 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.51 -22.88 30.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.851 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 50.0 t -75.58 -71.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.1 t -36.06 -45.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -53.27 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.489 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.67 -42.64 99.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.633 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.2 mt-30 -56.42 -58.13 9.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.25 -35.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -83.57 -44.23 14.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.655 ' O ' ' HG3' ' A' ' 39' ' ' PRO . . . -61.89 -44.39 97.91 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -73.51 -62.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.804 . . . . 0.0 111.027 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.2 tptp -37.97 -60.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.573 ' CD2' ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -59.73 -35.03 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.855 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.4 t60 -65.85 -50.88 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.86 -26.71 59.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.37 -18.5 29.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.81 24.04 75.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' CB ' HD13 ' A' ' 26' ' ' LEU . 7.4 mm-40 -102.04 175.45 5.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 50.6 p -123.82 -168.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.825 ' O ' ' N ' ' A' ' 35' ' ' SER . 18.8 m -132.59 134.01 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.717 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.38 76.08 0.0 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.825 ' N ' ' O ' ' A' ' 33' ' ' VAL . 24.1 p 174.5 -113.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.714 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.1 m-20 -94.06 -164.8 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.493 ' O ' ' O ' ' A' ' 39' ' ' PRO . 9.3 p -87.54 33.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.714 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.1 m-30 -79.69 145.81 63.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.655 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 18.6 Cg_endo -74.94 -175.71 16.55 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.981 -0.078 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.5 p80 177.28 170.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.647 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.5 ttpt -46.53 165.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.426 1.079 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.7 ' O ' ' C ' ' A' ' 43' ' ' ASN . 29.4 t80 -150.31 11.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.7 ' C ' ' O ' ' A' ' 42' ' ' TYR . 5.9 m-80 -6.72 80.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.684 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -51.76 160.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.684 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -162.38 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 12.2 mt-10 -40.15 -22.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.4 57.26 0.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.065 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.768 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 93.6 m-85 -100.34 135.91 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.8 58.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.604 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.3 m-30 -56.63 117.08 3.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -63.01 -0.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.573 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 15.8 m -110.45 150.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 1.007 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 33.7 t -88.3 168.38 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.055 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.739 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -75.98 166.87 41.65 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.788 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -75.07 160.09 96.99 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 0.097 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.744 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 17.0 m-30 -105.54 123.85 48.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.928 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.9 m-30 -107.39 120.44 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.672 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.4 pp20? -78.16 137.92 38.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.714 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 62.8 t-105 -165.19 140.01 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 107.976 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.111 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 155.7 42.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.697 ' HB ' HG12 ' A' ' 78' ' ' VAL . 14.5 tt -121.18 122.92 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 66' ' ' ASP . 17.6 mt -92.18 122.58 34.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -66.83 -4.94 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.94 -13.75 28.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 37.3 13.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.481 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 1.1 m-20 -108.83 -169.3 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.48 HG23 ' CB ' ' A' ' 22' ' ' ALA . 6.7 t -119.49 106.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.111 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 17.9 t80 -42.7 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 p -96.24 -52.64 3.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.717 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -71.05 -148.69 0.54 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.742 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -135.74 34.62 2.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.524 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 5.6 p -133.84 58.55 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.427 0.722 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.665 ' CB ' ' CB ' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.03 43.15 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 57.29 -93.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.612 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -154.26 -29.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.485 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -64.97 131.3 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.61 ' O ' ' O ' ' A' ' 88' ' ' GLY . 17.0 mmt-85 -143.53 141.49 30.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.972 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 5.5 m -113.53 150.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.39 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.292 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 92.5 t -130.97 116.75 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.7 p90 -122.28 -155.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.007 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -139.38 -165.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.676 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.7 tt0 -90.31 6.59 42.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.074 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -97.5 -24.08 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.724 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.01 20.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.074 HE21 ' ND2' ' A' ' 83' ' ' ASN . 30.3 mt-30 -105.04 112.52 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.859 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 2.0 tt -98.5 149.88 22.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.845 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -157.38 -40.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 1.292 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.35 55.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.936 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.4 t -82.14 35.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.888 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -66.99 176.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.641 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -165.32 152.57 10.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.612 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . 12.5 m-70 -74.89 11.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.483 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -50.93 88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.439 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.33 42.61 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.648 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.63 -9.19 3.53 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.4 t 99.62 47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.0 -131.16 8.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 3.9 t-20 -95.9 5.89 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.531 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -68.22 162.76 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.888 ' CD1' HG13 ' A' ' 90' ' ' ILE . 19.0 m-85 -116.63 166.93 11.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.684 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.1 m -161.86 125.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -54.57 123.36 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 95.4 m -50.0 177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.435 ' C ' ' H ' ' A' ' 5' ' ' THR . 70.8 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.495 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -34.23 127.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.27 -179.939 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -128.08 -7.23 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.687 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 78.0 m-85 -134.57 87.52 2.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 19.6 m -97.22 103.93 15.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 14.1 m -81.45 64.67 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.86 -54.79 0.99 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.42 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 10.2 p -131.69 54.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.035 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.713 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.1 m-80 -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.49 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.38 60.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 108.253 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.687 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.78 96.82 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 15.2 p -62.09 177.97 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -17.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -81.98 -29.95 31.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.2 -40.14 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.674 ' CG1' ' CG2' ' A' ' 78' ' ' VAL . 91.1 t -58.23 -46.34 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.583 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 35.8 t -36.21 -50.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.01 -51.98 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.47 -42.13 91.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.583 ' OE1' ' HA ' ' A' ' 17' ' ' SER . 9.5 mt-30 -59.92 -55.14 37.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.02 -40.66 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.528 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . . . -61.42 -62.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.77 -41.57 96.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.434 1.084 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.178 ' CE1' ' HA ' ' A' ' 83' ' ' ASN . 1.6 m-85 -54.73 -60.73 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -43.07 -50.22 6.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 32' ' ' THR . 10.5 tp -65.28 -34.16 77.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.783 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 54.9 t60 -65.93 -50.8 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.57 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.22 -25.1 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -92.8 -21.85 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.19 30.14 57.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 59.1 mm-40 -109.13 -178.7 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.789 ' C ' HD23 ' A' ' 26' ' ' LEU . 27.8 p -120.9 -178.04 3.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.86 ' O ' ' N ' ' A' ' 35' ' ' SER . 27.6 m -123.15 118.44 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 33' ' ' VAL . . . -2.95 62.25 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 33' ' ' VAL . 79.2 p 176.35 -148.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.726 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.5 m-20 -52.16 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 39' ' ' PRO . 66.5 p -91.75 35.08 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.726 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -80.66 143.33 54.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.541 ' CD ' HD22 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 -179.83 28.07 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.985 0.004 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.586 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.7 p80 -170.11 169.01 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.498 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 23.6 ttpt -51.43 166.31 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.744 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -159.27 -24.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.87 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 11.7 m-80 49.5 -104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.87 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.6 p-10 152.16 178.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 167.78 -45.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.936 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.1 -18.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 110.74 54.58 0.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.744 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 82.4 m-85 -97.33 134.49 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 0.746 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 67.05 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.735 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 15.7 m-30 -70.71 105.52 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.0 p -73.72 24.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.758 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 30.5 m -129.92 161.22 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.681 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.6 m -93.33 154.46 17.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.79 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -69.72 171.4 7.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.79 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.0 Cg_endo -75.07 151.35 96.71 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.951 0.081 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.571 ' O ' ' N ' ' A' ' 42' ' ' TYR . 17.3 m-85 -90.53 112.67 24.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.856 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 13.5 m-30 -95.3 136.0 36.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.641 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -98.29 147.07 25.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.903 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 52.2 t-105 -164.32 146.41 7.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.936 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.04 153.05 41.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.538 1.809 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.52 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 13.4 tt -121.3 115.96 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 66' ' ' ASP . 13.5 mt -88.1 119.07 28.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -3.99 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.51 -14.38 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.0 11.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.498 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -107.02 -169.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 3.5 t -126.33 103.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.936 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 25.5 t80 -45.3 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 26.2 p -89.16 -38.19 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.665 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -84.72 -150.81 12.49 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.725 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -124.76 25.41 5.88 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -125.83 66.73 58.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.707 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.7 Cg_endo -74.9 -92.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 158.09 169.11 21.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.686 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.65 -45.92 7.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.578 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 18.1 m-20 -60.25 127.96 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.707 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -147.24 150.78 35.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.746 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -117.77 141.36 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.117 ' O ' ' N ' ' A' ' 87' ' ' ALA . 69.3 t -125.45 129.84 72.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 1.033 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 3.8 p90 -132.57 -160.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.352 HD22 ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -149.32 -121.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 1.177 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 51.1 tt0 -33.18 -95.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.178 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -158.71 85.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.8 ' N ' ' CZ ' ' A' ' 24' ' ' TYR . 1.9 p30 111.91 17.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.352 ' CG ' HD22 ' A' ' 81' ' ' ASN . 6.6 mm-40 -109.67 47.88 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.218 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.593 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.9 134.49 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.37 -44.87 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.98 -133.0 2.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.763 ' O ' ' N ' ' A' ' 103' ' ' CYS . 78.5 t -150.74 89.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -83.8 164.76 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.686 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.39 153.14 17.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.619 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.5 m170 -77.11 20.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.54 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.496 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -74.07 120.84 20.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 31.45 42.65 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.103 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.494 ' C ' ' ND2' ' A' ' 99' ' ' ASN . . . -74.64 -20.88 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.502 ' C ' HD22 ' A' ' 99' ' ' ASN . 3.9 t 83.56 45.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.59 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 128.06 -134.66 8.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -95.87 4.63 52.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.719 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.11 -177.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.619 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 27.7 m-85 -132.89 167.48 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.619 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 31.2 m -162.19 134.94 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -58.53 125.4 23.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.9 m -55.25 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.625 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -128.88 58.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -36.95 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.816 ' CE1' HG22 ' A' ' 89' ' ' VAL . 89.7 m-85 -135.25 125.37 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.071 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.716 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.7 m -133.56 104.55 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.8 m -80.17 64.61 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.61 -52.01 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.9 p -150.01 48.35 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.744 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -123.61 -168.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 48.9 t -171.78 75.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.922 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 20.1 m-85 -87.62 43.53 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.831 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -24.63 149.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.006 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' SER . 6.5 p -38.38 -22.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.999 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.5 t -83.22 -23.04 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.922 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -84.71 -32.5 23.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.771 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 35.1 t -62.61 -66.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.526 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 33.8 t -42.41 -52.77 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.063 . . . . 0.0 110.009 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -51.57 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.523 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -43.66 96.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.721 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 2.9 mt-30 -57.2 -58.67 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.39 -37.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -75.67 -55.25 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.07 -42.99 99.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.677 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.7 t80 -67.3 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.594 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 18.4 tptt -40.58 -62.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 32' ' ' THR . 4.0 tp -57.14 -33.21 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.857 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.2 t60 -67.92 -52.51 35.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.636 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.604 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.21 -27.21 44.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.75 -16.85 31.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.94 23.78 75.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.9 mm-40 -102.0 179.86 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 0.718 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.627 ' C ' HD23 ' A' ' 26' ' ' LEU . 23.9 p -126.51 170.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.469 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.606 HG22 ' CZ3' ' A' ' 59' ' ' TRP . 16.9 m -116.01 121.64 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.56 ' HA3' ' HA3' ' A' ' 70' ' ' GLY . . . 80.2 -142.59 24.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -97.72 -20.3 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 0.719 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.612 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.6 m-20 -69.94 -165.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 39' ' ' PRO . 18.8 p -125.48 46.74 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -102.91 145.78 31.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.589 ' HD3' HD21 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 -161.54 2.51 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.044 -0.105 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.764 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.1 p80 175.58 161.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.542 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.5 OUTLIER -41.9 163.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.707 ' O ' ' C ' ' A' ' 43' ' ' ASN . 44.1 t80 -147.17 10.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -7.71 82.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.74 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.6 p-10 -52.96 162.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.74 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -168.63 -38.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -17.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 107.75 51.79 0.73 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 27.2 m-85 -97.19 137.54 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.04 57.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.6 m-30 -53.79 120.34 6.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.2 p -61.52 -1.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.661 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 14.7 m -108.99 150.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 1.213 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.1 m -85.11 179.36 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.726 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 12.9 p -87.07 164.25 36.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.781 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -75.03 175.2 48.93 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.946 -2.523 . . . . 0.0 111.04 0.021 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.802 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 11.8 m-30 -116.77 125.29 51.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.929 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.7 m-30 -111.09 119.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.764 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -77.16 139.06 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.829 ' O ' ' N ' ' A' ' 78' ' ' VAL . 63.5 t-105 -159.57 139.6 8.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.018 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.0 138.11 22.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.592 HD12 ' CD1' ' A' ' 11' ' ' TYR . 11.1 tt -107.72 111.3 35.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt -88.52 116.79 27.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.22 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -58.88 -14.72 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.002 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -18.22 56.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.36 38.25 11.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -109.98 -175.67 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 8.9 t -115.25 100.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.085 ' OH ' ' N ' ' A' ' 71' ' ' GLY . 17.6 t80 -36.14 127.96 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 10.5 p -109.94 45.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.731 ' C ' ' CE1' ' A' ' 68' ' ' TYR . . . 76.74 141.27 1.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.573 1.171 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 1.085 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 154.24 -145.31 12.45 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.605 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -130.27 53.0 10.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.865 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.92 45.87 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 111.101 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -58.02 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.697 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . -19.49 -56.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 74' ' ' GLY . 92.3 m-20 -122.9 114.63 20.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.617 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -138.7 144.73 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.957 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 4.4 m -118.01 150.53 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.272 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.3 t -129.58 118.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.929 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.3 p90 -127.01 -157.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.213 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -139.64 -168.99 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.748 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 1.2 tp10 -89.45 21.55 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.064 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -112.57 -20.23 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.707 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.3 21.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.064 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.8 mt-30 -107.92 105.31 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.863 ' CD2' ' HB ' ' A' ' 78' ' ' VAL . 3.1 tp -99.43 141.74 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -146.97 -45.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 1.272 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -44.31 54.68 0.0 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 1.011 ' N ' ' O ' ' A' ' 87' ' ' ALA . 52.9 t -84.57 40.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 0.776 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.842 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.38 172.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.791 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.84 163.39 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.615 ' HB2' ' HA ' ' A' ' 75' ' ' ALA . 13.1 m170 -84.16 -10.69 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 109.599 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -35.58 97.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' SER . . . 38.39 37.05 0.46 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.674 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -67.56 61.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.3 OUTLIER 34.46 30.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 110.056 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.0 -125.23 4.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.634 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -98.75 2.92 47.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.391 0.701 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.737 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 0.2 OUTLIER -62.47 172.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.842 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.2 m-85 -119.31 158.8 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.618 ' HA ' ' HE1' ' A' ' 48' ' ' PHE . 27.1 m -160.07 123.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 0.6 OUTLIER -49.99 123.77 8.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -50.88 173.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 108.344 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.496 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.8 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -119.95 57.02 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 108.264 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -37.71 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.88 ' CD1' ' CG2' ' A' ' 89' ' ' VAL . 91.4 m-85 -137.9 115.41 11.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.694 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.5 m -124.9 107.01 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.8 m -82.14 64.71 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.94 -54.98 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.544 1.152 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.427 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -146.49 48.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.978 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.746 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.4 -169.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t -171.76 73.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.881 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.8 m-85 -86.07 46.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.81 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -27.15 151.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.4 p -38.67 -22.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -83.02 -25.18 32.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.881 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.17 -26.25 28.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.804 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 47.6 t -71.46 -70.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.485 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.4 t -38.26 -49.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -51.15 35.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -62.04 -44.59 96.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.705 ' NE2' ' HB2' ' A' ' 86' ' ' LEU . 10.7 mt-30 -56.27 -58.32 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.53 -39.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . -71.35 -59.54 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -59.87 -39.3 95.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.65 ' CE2' ' HA ' ' A' ' 84' ' ' ASN . 1.3 t80 -68.48 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 11.5 tptp -38.41 -59.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.683 HD21 ' HD3' ' A' ' 39' ' ' PRO . 1.9 tp -59.87 -34.86 73.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.3 t60 -66.6 -50.7 62.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.22 -26.83 61.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.23 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.01 -17.23 29.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.38 22.82 72.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.1 mm-40 -100.99 179.29 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.666 ' C ' HD23 ' A' ' 26' ' ' LEU . 82.5 p -125.55 169.5 12.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.571 HG22 ' CH2' ' A' ' 59' ' ' TRP . 4.4 m -115.92 128.85 73.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' HA3' ' O ' ' A' ' 69' ' ' SER . . . 72.1 -152.06 48.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -96.41 15.09 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.979 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.601 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.1 m-20 -104.9 -165.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.17 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 39' ' ' PRO . 12.7 p -121.06 43.28 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.966 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.601 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.92 142.96 25.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.683 ' HD3' HD21 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.07 -162.89 2.93 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.645 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.2 p80 170.61 163.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.529 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -42.36 163.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.787 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 36.8 t80 -146.11 10.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -4.84 77.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -47.38 160.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -163.78 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 18.0 mt-10 -41.91 -20.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 110.81 56.48 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.751 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 86.5 m-85 -98.57 132.84 43.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 57.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.616 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -55.84 114.72 2.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -60.73 -0.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.571 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 15.9 m -110.98 151.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 1.208 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.6 t -88.07 172.17 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.745 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.0 p -79.85 166.34 41.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.745 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.0 162.1 93.54 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.033 0.024 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.595 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 17.1 m-30 -107.93 128.21 54.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -111.81 113.69 26.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.787 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.8 pt-20 -77.27 137.1 38.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 58.5 t-105 -155.55 140.59 12.22 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.047 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.742 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.607 HG13 ' HB1' ' A' ' 19' ' ' ALA . 8.4 tt -103.72 112.35 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 mt -88.06 117.42 26.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -13.27 10.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -79.82 -17.41 53.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.22 37.76 12.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.99 -175.15 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 22' ' ' ALA . 16.6 t -115.71 102.02 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.047 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 23.5 t80 -36.72 126.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.544 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 60.3 p -100.72 45.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.696 ' HA2' ' CE2' ' A' ' 68' ' ' TYR . . . 65.52 154.73 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.619 1.2 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 1.04 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 136.78 -140.62 11.61 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 74' ' ' GLY . 1.3 m -124.89 73.65 64.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.408 0.711 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.755 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 41.32 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.661 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -59.25 114.54 6.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.797 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . 149.03 -64.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.51 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 10.2 m-20 -122.83 118.46 28.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.713 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -141.45 142.64 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.981 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 9.3 m -114.29 148.0 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.316 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 71.8 t -128.95 110.7 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.3 p90 -120.33 -169.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.208 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -127.95 -171.02 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.703 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 2.9 tt0 -88.7 17.48 5.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.849 HD22 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.47 -19.35 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.713 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 102.48 25.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.734 HE21 ' ND2' ' A' ' 83' ' ' ASN . 44.4 mt-30 -113.82 117.16 30.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.862 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 1.5 tt -102.74 146.5 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.834 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -152.18 -38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 1.316 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.27 54.46 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.977 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.4 t -83.88 34.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.863 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.67 174.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.797 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.9 148.39 10.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.629 ' O ' ' N ' ' A' ' 94' ' ' GLY . 12.9 m-70 -70.55 1.41 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.575 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -29.75 88.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.388 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.54 39.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.642 ' C ' ' H ' ' A' ' 97' ' ' GLY . . . -52.56 171.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.795 ' N ' HD22 ' A' ' 99' ' ' ASN . 13.0 t -62.82 8.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.642 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 152.3 -121.67 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.4 t-20 -92.85 1.49 57.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.795 HD22 ' N ' ' A' ' 96' ' ' SER . 7.1 p30 -66.31 -165.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.863 ' CD1' HG13 ' A' ' 90' ' ' ILE . 40.4 m-85 -139.79 171.33 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 27.8 m -160.79 125.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 1.4 pt-20 -55.08 123.57 14.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 96.3 m -51.09 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 108.242 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.685 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -105.72 61.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 108.284 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -41.26 -28.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.737 ' CD1' HG22 ' A' ' 89' ' ' VAL . 69.4 m-85 -139.9 110.38 6.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.566 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.4 m -118.6 103.43 9.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 24.9 m -78.7 67.79 4.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.58 -47.05 3.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.5 p -160.99 48.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.831 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.8 -166.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 47.7 t -171.8 76.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.897 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.5 m-85 -90.98 47.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -25.13 149.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.7 p -38.24 -24.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.2 t -82.07 -24.49 35.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.897 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.36 -28.92 31.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.668 ' CG2' ' CD2' ' A' ' 4' ' ' TYR . 69.1 t -76.24 -66.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 39.7 t -37.81 -49.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -52.44 53.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.529 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -60.85 -43.4 98.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.638 ' NE2' ' HB3' ' A' ' 86' ' ' LEU . 7.6 mt-30 -59.44 -55.16 38.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.01 -38.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -74.07 -53.04 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.634 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.46 -39.84 37.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.793 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 5.8 t80 -75.1 -73.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.41 -50.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.797 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 56.6 tp -67.42 -36.88 82.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.837 ' CD2' ' CE2' ' A' ' 57' ' ' TYR . 9.8 t60 -64.55 -45.19 88.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.653 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -25.46 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 55.3 m-20 -80.86 -22.16 40.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.21 78.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.606 ' CB ' HD13 ' A' ' 26' ' ' LEU . 4.0 mm-40 -97.12 178.3 5.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.581 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 62.5 p -132.09 176.42 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.873 ' CG2' ' CE2' ' A' ' 68' ' ' TYR . 3.4 m -134.98 152.98 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.81 -154.94 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -97.75 45.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.638 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -139.74 -166.63 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 39' ' ' PRO . 4.5 p -118.68 38.52 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.638 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -93.27 147.14 33.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.634 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.2 Cg_endo -75.0 -170.57 8.39 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.033 -0.03 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.628 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 26.5 p80 178.26 170.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 4.3 ttmt -50.47 169.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.709 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 17.7 t80 -153.06 11.92 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -6.42 85.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.772 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p-10 -53.3 167.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -177.0 -43.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.52 -20.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.95 57.28 0.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.745 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 84.1 m-85 -101.17 139.36 36.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.84 75.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.214 -179.884 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.745 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 17.8 m-30 -80.71 120.2 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.5 p -81.02 22.32 0.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.83 HG12 ' O ' ' A' ' 86' ' ' LEU . 34.3 m -127.53 156.87 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.716 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -94.75 142.88 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.759 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -52.54 169.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.825 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.7 Cg_endo -74.95 152.43 98.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.065 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' TYR . 23.3 m-85 -92.45 110.87 22.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.007 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -94.96 129.46 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.647 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.0 pp20? -92.95 141.03 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.911 ' O ' ' N ' ' A' ' 78' ' ' VAL . 59.3 t-105 -162.07 138.97 6.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.177 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 154.53 42.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.574 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 18.1 tt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 68' ' ' TYR . 90.9 mt -94.21 120.48 34.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.2 t -59.57 -12.52 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.27 -16.93 41.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.942 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.42 35.71 13.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.28 -171.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' SER . 5.3 t -109.03 107.33 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.177 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 1.1 t80 -43.39 93.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.492 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 78.3 p -123.46 48.2 1.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.944 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.87 -52.42 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 102.75 24.99 7.84 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.629 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.45 52.52 2.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.629 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.0 -56.08 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.68 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . 27.72 87.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.976 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 147.11 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.781 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.0 m-20 -70.26 134.05 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.918 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -155.02 131.01 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -102.12 130.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.107 ' O ' ' N ' ' A' ' 87' ' ' ALA . 81.9 t -110.78 131.65 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.391 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 1.007 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -142.33 -176.08 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.271 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -128.8 -117.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.93 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 1.271 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 47.1 tt0 -29.74 -56.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.793 ' HB3' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -171.81 -89.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.486 ' N ' HD21 ' A' ' 83' ' ' ASN . 7.1 p30 -79.66 18.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.255 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 41.0 mm-40 -90.04 45.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.83 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -37.46 137.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.107 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -87.02 -33.64 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.558 ' CA ' HD13 ' A' ' 86' ' ' LEU . . . 169.01 -146.77 10.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.737 HG22 ' CD1' ' A' ' 4' ' ' TYR . 24.6 t -143.32 88.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.807 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.631 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 0.9 OUTLIER -82.16 161.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.976 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -157.15 150.89 24.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.9 m170 -74.16 -5.93 44.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -34.16 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.8 42.82 0.05 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.571 1.17 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.635 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -62.98 -10.29 13.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 0.838 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.4 t 97.65 46.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.21 -131.03 8.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.9 t-20 -96.14 5.31 51.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.53 ' ND2' ' C ' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -67.28 169.96 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.362 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.631 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 28.6 m-85 -121.76 167.69 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.623 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.4 m -162.71 132.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -59.33 123.17 15.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 64.3 m -55.7 -166.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.365 -179.97 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.517 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.74 61.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.13 -27.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.871 ' CD1' ' CG2' ' A' ' 89' ' ' VAL . 94.0 m-85 -139.74 113.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 1.15 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -123.08 104.93 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.082 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.5 m -79.34 62.99 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.37 -49.61 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 8' ' ' SER . 2.0 p -152.82 48.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.783 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -125.0 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 39.4 t -172.76 76.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.294 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.846 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 16.5 m-85 -90.05 51.92 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.793 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -29.75 152.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -39.11 -22.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.6 t -83.07 -25.25 32.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.846 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -84.36 -22.73 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.841 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 41.9 t -76.56 -70.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' VAL . 33.0 t -37.4 -45.91 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.15 -54.3 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.583 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -44.1 96.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.634 ' HG2' HD11 ' A' ' 86' ' ' LEU . 6.9 mt-30 -55.75 -57.16 13.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -33.73 -33.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -86.02 -47.02 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.27 -43.71 98.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -72.27 -65.03 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 110.978 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -38.33 -56.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.679 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 13.9 tp -61.68 -36.66 81.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 27.9 t60 -64.06 -48.02 77.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 109.652 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -61.87 -24.55 67.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -86.31 -20.26 28.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.33 23.05 78.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.595 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 20.3 mm-40 -102.11 178.59 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 110.195 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.586 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.7 p -126.47 -171.76 2.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.791 HG23 ' CE2' ' A' ' 68' ' ' TYR . 28.1 m -133.42 131.02 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.829 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.71 79.88 0.0 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.878 ' HB2' ' N ' ' A' ' 71' ' ' GLY . 43.1 t 178.17 -94.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.716 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 52.2 m-20 -121.91 -162.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . 8.6 p -83.93 31.69 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.716 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -82.9 146.06 51.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.572 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.5 Cg_endo -75.0 179.85 29.2 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.005 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.664 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 26.2 p80 -179.52 167.56 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.57 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -43.46 166.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.699 ' O ' ' C ' ' A' ' 43' ' ' ASN . 31.4 t80 -148.21 11.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -3.48 85.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.36 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p-10 -60.54 166.72 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -170.02 -43.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.642 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 16.8 mt-10 -39.37 -23.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 112.22 58.73 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.752 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 86.9 m-85 -101.29 134.39 44.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 0.767 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.63 58.19 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.1 m-30 -56.35 112.33 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.44 0.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.588 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 17.9 m -110.58 150.78 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.953 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 74.2 m -86.83 171.09 11.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.719 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 8.9 p -79.23 164.82 52.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.744 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -75.02 171.03 70.18 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.991 0.023 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.725 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.9 m-30 -115.08 126.2 54.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.939 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.2 m-30 -110.21 119.8 40.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.664 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.7 pt-20 -78.53 139.56 38.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.791 ' CZ3' ' CD2' ' A' ' 68' ' ' TYR . 58.1 t-105 -164.72 139.77 4.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.032 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 148.44 35.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.583 HG13 ' CB ' ' A' ' 19' ' ' ALA . 10.9 tt -114.0 130.56 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 66' ' ' ASP . 20.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -69.45 0.53 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -96.9 -13.32 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.67 40.06 9.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 1.4 m-20 -114.18 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.486 HG23 ' CB ' ' A' ' 22' ' ' ALA . 3.9 t -122.47 106.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.032 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -44.83 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.637 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 83.3 p -97.09 -5.65 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.829 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -132.91 148.92 19.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.878 ' N ' ' HB2' ' A' ' 35' ' ' SER . . . -69.94 43.71 0.51 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.671 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 92.7 p -142.34 50.3 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.752 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.06 -83.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 165.62 161.25 14.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.751 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.42 -33.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.48 ' CG ' ' HH ' ' A' ' 11' ' ' TYR . 2.6 m-20 -67.15 124.66 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.752 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 1.1 mmt180 -141.26 144.24 34.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.95 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 4.1 m -114.52 150.21 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.303 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 98.6 t -132.25 114.09 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.939 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.5 p90 -119.69 -155.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.953 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.83 -163.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.784 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 55.2 tt0 -92.46 4.93 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.072 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -95.46 -23.22 17.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.38 21.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.072 HE21 ' ND2' ' A' ' 83' ' ' ASN . 34.1 mt-30 -107.51 115.19 29.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.922 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 3.5 tt -99.95 152.74 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.893 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -159.52 -42.38 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 1.303 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -51.15 56.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 1.081 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.5 t -83.47 33.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.903 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.39 175.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.751 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -162.94 148.52 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.664 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.3 m-70 -74.21 11.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -50.0 83.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.446 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.6 36.44 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.711 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -51.58 -33.57 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.725 ' N ' HD22 ' A' ' 99' ' ' ASN . 14.7 t 137.05 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.48 -117.85 4.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.2 t-20 -95.39 -7.51 38.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 0.787 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.725 HD22 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.88 156.19 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.903 ' CD1' HG13 ' A' ' 90' ' ' ILE . 23.0 m-85 -111.06 169.03 9.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.662 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 27.7 m -163.79 127.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.565 ' O ' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -48.37 130.9 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.15 ' O ' ' O ' ' A' ' 5' ' ' THR . 44.9 m -59.51 -7.29 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.286 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.726 ' OG1' ' O ' ' A' ' 103' ' ' CYS . 2.6 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.527 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.1 56.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -39.67 -28.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.866 ' HB3' HG12 ' A' ' 89' ' ' VAL . 94.4 m-85 -136.22 114.08 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.698 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.9 m -125.78 104.94 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.8 m -80.61 66.43 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.48 -51.7 4.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.6 p -152.55 48.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.049 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.753 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -122.92 -167.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 44.5 t -170.9 74.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.879 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 22.4 m-85 -88.37 45.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.804 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -27.6 151.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 62.3 p -38.83 -22.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -82.3 -24.97 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.879 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.91 -28.11 28.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.759 ' CG1' ' HB3' ' A' ' 86' ' ' LEU . 40.8 t -69.51 -67.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.516 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.8 t -40.43 -52.06 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.46 -54.29 7.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.583 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -58.75 -44.07 90.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.712 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 3.3 mt-30 -53.85 -57.37 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.27 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' CB ' ' CG2' ' A' ' 67' ' ' VAL . . . -85.12 -46.94 10.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.5 -44.22 97.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -74.32 -63.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 5.9 tptm -38.58 -58.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' CD2' ' HD3' ' A' ' 39' ' ' PRO . 49.0 tp -60.58 -32.22 71.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 37.7 t60 -70.49 -52.24 23.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -53.66 -27.88 29.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -84.8 -14.78 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.79 23.66 77.69 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.056 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' C ' HD13 ' A' ' 26' ' ' LEU . 6.7 mm-40 -107.43 172.8 6.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.551 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p -132.98 163.82 28.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.707 ' HB ' ' C ' ' A' ' 69' ' ' SER . 3.5 m -83.56 123.35 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.954 ' O ' ' HB2' ' A' ' 35' ' ' SER . . . -36.37 105.66 0.03 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 1.147 ' HB3' ' N ' ' A' ' 71' ' ' GLY . 0.3 OUTLIER 152.22 -64.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.991 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.712 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -126.49 -157.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.459 ' HA ' HG22 ' A' ' 32' ' ' THR . 51.6 p -109.36 37.98 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.065 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.712 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -94.3 145.88 30.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.585 ' HB3' ' HB2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.06 -170.04 7.92 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.952 0.064 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.621 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.8 p80 179.17 168.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.0 OUTLIER -51.98 159.26 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.795 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 21.0 t80 -151.58 -64.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 111.06 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.859 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 81.94 -99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.859 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 3.3 p-10 149.82 174.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 178.52 -47.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.676 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt-10 -45.92 -16.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.43 54.06 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.874 ' CE1' ' CG2' ' A' ' 90' ' ' ILE . 97.3 m-85 -94.37 135.41 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 58.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.712 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.5 m-30 -56.32 109.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.2 p -60.64 0.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.568 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 17.8 m -111.94 151.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 1.265 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 49.4 m -88.11 176.56 7.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.688 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 23.1 p -77.74 162.12 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.785 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -74.97 173.73 56.33 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.978 -0.001 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.817 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 12.7 m-30 -119.78 113.84 21.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 21.0 m-30 -102.74 120.88 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.699 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -79.91 140.39 36.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.97 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 43.5 t-105 -163.01 144.84 7.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 107.989 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.97 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.06 143.99 29.5 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 11' ' ' TYR . 7.4 tt -110.76 114.92 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.82 120.03 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -56.18 -14.57 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -11.83 48.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.34 36.6 38.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -111.21 -172.92 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.544 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 53.7 t -108.38 113.75 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.858 ' HH ' ' C ' ' A' ' 71' ' ' GLY . 10.5 t80 -40.11 167.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.053 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.707 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 71.2 p -104.68 -27.44 11.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 110.002 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 1.087 ' C ' ' HB3' ' A' ' 35' ' ' SER . . . 126.48 159.75 10.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 1.147 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 86.79 -131.55 10.62 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.563 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.1 p -90.93 102.34 5.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 109.958 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.88 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.5 Cg_endo -74.95 -10.04 21.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.24 -103.62 0.66 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.684 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -138.25 -47.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 0.715 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.539 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.28 128.03 34.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.633 ' HD3' ' HG2' ' A' ' 73' ' ' PRO . 1.5 mmt-85 -143.08 149.61 38.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.933 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 3.5 m -119.37 148.49 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 1.253 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 85.6 t -131.81 118.05 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -123.53 -158.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.265 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -135.15 -167.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.564 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 18.5 tt0 -89.43 8.65 29.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.079 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -98.22 -24.36 15.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.729 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 108.72 19.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.079 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.8 mt-30 -105.7 111.26 23.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.892 ' CD2' ' HB ' ' A' ' 78' ' ' VAL . 3.7 tp -102.39 143.62 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.065 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -149.59 -45.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 1.253 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -39.65 57.44 0.0 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 1.065 ' N ' ' O ' ' A' ' 87' ' ' ALA . 1.7 t -82.06 35.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.874 ' CG2' ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -65.47 173.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.684 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.92 153.64 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.663 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.6 m170 -75.69 12.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.659 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -50.83 88.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.47 42.02 0.08 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.655 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.88 -8.55 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.8 t 100.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.419 ' N ' HD22 ' A' ' 99' ' ' ASN . . . 120.33 -131.89 9.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.098 . . . . 0.0 110.949 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -95.89 12.56 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.614 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -73.64 167.26 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.844 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.8 m-85 -120.27 165.45 14.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.66 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 34.7 m -162.91 124.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 1.0 OUTLIER -52.1 122.31 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.7 m -49.86 176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 5' ' ' THR . 81.0 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.499 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -35.79 131.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -130.97 -4.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.696 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 79.6 m-85 -137.6 89.36 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.491 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 8.2 m -99.1 103.74 15.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.0 m -81.51 65.14 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.367 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 -55.19 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.602 1.189 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 8.3 p -133.08 54.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 109.984 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.696 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -141.78 -175.31 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.35 62.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.348 -179.921 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -130.14 96.8 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.499 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 28.3 p -62.87 -177.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -54.04 -16.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -82.4 -29.71 30.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.69 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.83 -40.24 18.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.561 ' CG1' ' CD1' ' A' ' 86' ' ' LEU . 94.3 t -55.91 -48.52 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.564 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.7 t -36.3 -53.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -52.15 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.361 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.452 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -59.16 -41.99 89.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.691 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 11.8 mt-30 -60.44 -56.22 24.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.88 -36.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -73.27 -54.58 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -52.79 -42.68 59.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.676 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 9.3 t80 -68.82 -66.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -33.18 -57.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.664 HD23 ' C ' ' A' ' 32' ' ' THR . 3.8 tp -62.81 -38.64 91.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.824 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.7 t60 -63.08 -48.33 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.654 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -59.67 -28.69 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.25 -16.38 35.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 22.98 75.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 8.4 mm-40 -100.3 178.51 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.664 ' C ' HD23 ' A' ' 26' ' ' LEU . 34.6 p -126.21 -177.33 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.693 HG22 ' CH2' ' A' ' 59' ' ' TRP . 4.0 m -134.97 125.84 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.57 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 79.36 -144.5 27.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -97.11 -13.65 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.567 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.9 m-20 -79.51 -166.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 p -125.13 45.69 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.6 m-85 -98.39 147.54 33.27 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.557 ' HD3' HD21 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -171.42 9.37 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.941 0.069 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -178.96 161.93 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.622 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 42' ' ' TYR . 1.3 tttm -41.29 162.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.706 ' O ' ' C ' ' A' ' 43' ' ' ASN . 14.5 t80 -148.69 11.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -4.79 86.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.754 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -55.08 164.31 0.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.97 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 11.2 mt-10 -43.77 -20.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.64 56.06 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.677 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 92.5 m-85 -103.41 134.59 46.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.67 68.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.655 ' CD2' ' HB3' ' A' ' 87' ' ' ALA . 21.3 m-30 -69.0 121.27 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -77.09 21.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.658 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 12.9 m -127.57 147.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 54' ' ' SER . 51.1 m -85.54 135.97 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.737 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -41.07 166.78 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 1.127 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.01 175.52 47.5 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.021 0.055 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 42' ' ' TYR . 22.4 m-85 -115.22 109.01 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.947 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.4 m-30 -95.22 120.55 35.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.704 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.36 122.26 32.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.961 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 45.5 t-105 -137.17 147.15 57.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.961 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 153.85 41.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 16.6 tt -121.56 114.88 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.378 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.436 HD13 ' N ' ' A' ' 68' ' ' TYR . 25.7 mt -86.4 123.51 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.93 -2.6 5.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -95.66 -15.97 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.04 39.56 9.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 1.2 m-20 -113.27 -173.05 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG2' ' CB ' ' A' ' 22' ' ' ALA . 11.9 t -115.5 104.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.209 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.859 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 18.3 t80 -44.55 103.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.491 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 24.9 p -112.04 43.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.669 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -140.59 -160.58 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.604 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -112.65 -23.63 5.29 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -121.35 90.14 47.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.744 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.08 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.571 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 168.02 175.0 37.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.721 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -49.56 -49.5 46.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 0.825 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.582 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 5.9 m-20 -57.71 126.05 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.744 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.62 145.77 27.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.846 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -112.7 135.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.5 t -114.03 136.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.947 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.7 p90 -153.07 161.08 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.301 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.55 -109.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 1.301 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 2.2 tt0 -37.49 -63.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.158 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -163.9 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.888 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.9 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.9 23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.418 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -84.1 30.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.373 179.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.691 ' HB2' ' CD ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -27.82 114.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.962 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.33 -37.07 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.532 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 165.19 -140.12 6.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.761 ' O ' ' N ' ' A' ' 103' ' ' CYS . 79.8 t -144.41 90.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.53 ' CG1' ' HB2' ' A' ' 77' ' ' ARG . 1.3 pt -84.83 165.23 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.721 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.98 153.16 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.732 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 7.8 m170 -83.15 14.28 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -49.3 84.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.409 1.068 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.714 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -52.12 -36.65 51.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.76 ' N ' HD22 ' A' ' 99' ' ' ASN . 12.0 t 138.02 40.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.42 -117.87 4.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.1 t-20 -93.92 -9.82 35.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.737 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.76 HD22 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -60.54 148.09 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.732 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 19.3 m-85 -104.92 168.47 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.632 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 30.9 m -163.29 136.57 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.619 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.09 126.3 26.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.5 m -54.79 -167.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.998 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -36.41 127.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.308 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -129.54 -6.04 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.71 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 90.1 m-85 -134.39 87.61 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.473 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 12.3 m -97.4 102.42 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.8 m -80.75 64.33 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.12 -54.41 0.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.429 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 13.9 p -131.15 53.65 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.759 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.708 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -142.95 -175.49 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.13 60.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.71 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -127.05 99.56 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -64.58 178.6 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.977 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.481 ' N ' ' OG ' ' A' ' 12' ' ' SER . 26.4 p -50.91 -17.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.6 t -81.65 -29.43 33.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.936 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.686 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.74 -40.38 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.564 ' CG1' ' CD1' ' A' ' 86' ' ' LEU . 95.8 t -56.31 -47.04 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.535 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.3 t -36.38 -52.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.5 -54.85 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -58.21 -42.32 85.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.716 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 12.8 mt-30 -59.35 -54.69 43.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.37 -38.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 67' ' ' VAL . . . -74.29 -52.16 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.611 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.01 -40.29 58.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.679 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.6 t80 -73.39 -71.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -34.56 -52.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.833 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 9.4 tp -65.88 -38.45 88.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.9 t60 -63.5 -44.74 93.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.641 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.37 -26.87 68.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 6.3 m-20 -83.29 -20.92 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.99 23.93 70.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.571 1.169 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.702 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 3.7 mm-40 -99.96 177.58 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 69.4 p -130.73 179.08 6.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.833 ' CG1' ' CD2' ' A' ' 26' ' ' LEU . 3.0 m -136.63 129.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.73 -147.06 29.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.7 m -96.75 -12.57 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.604 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.2 m-20 -80.21 -164.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.378 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.5 p -123.88 43.59 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.604 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.27 145.33 29.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.611 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.4 Cg_endo -74.99 -174.42 14.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.057 -0.025 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.743 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 29.9 p80 178.53 167.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.595 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.34 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.804 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 20.9 t80 -152.99 13.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.691 ' C ' ' O ' ' A' ' 42' ' ' TYR . 8.9 m-20 -4.81 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.744 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -58.27 170.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.744 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -178.04 -43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.946 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.2 mp0 -41.64 -22.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.77 57.8 0.31 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.713 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 87.8 m-85 -101.78 137.67 39.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.83 71.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.67 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 20.4 m-30 -75.0 115.38 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.9 p -75.33 21.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.682 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 16.1 m -128.67 149.27 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.7 m -89.11 134.82 33.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.794 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -43.44 173.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.937 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.07 149.62 94.01 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.99 0.038 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 42' ' ' TYR . 24.9 m-85 -90.0 114.26 26.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -97.63 119.98 37.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.804 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -87.75 126.08 34.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.057 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.3 t-105 -143.6 148.73 44.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.057 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.96 156.22 43.14 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.517 HG13 ' HB1' ' A' ' 19' ' ' ALA . 12.6 tt -123.59 119.02 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 68' ' ' TYR . 28.7 mt -91.65 119.43 31.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -64.38 -5.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -16.63 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.32 37.63 9.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.406 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 57.0 m-20 -111.53 -170.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 22' ' ' ALA . 4.4 t -118.99 106.53 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.362 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.898 ' OH ' ' HA2' ' A' ' 71' ' ' GLY . 5.7 t80 -43.74 137.79 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.764 ' O ' ' O ' ' A' ' 70' ' ' GLY . 55.8 p -123.97 -67.29 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.764 ' O ' ' O ' ' A' ' 69' ' ' SER . . . -44.81 -155.26 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.898 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -116.91 -10.14 10.23 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.7 p -116.03 81.69 10.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.712 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.1 Cg_endo -75.04 -56.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 145.01 169.38 13.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.75 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -49.1 -45.66 43.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.603 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 6.7 m-20 -59.13 125.62 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.712 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.93 145.19 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.795 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -109.4 141.77 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.945 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.4 t -120.16 135.45 60.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -152.38 162.26 41.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.288 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.53 -110.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 1.288 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 1.6 tt0 -36.93 -63.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.156 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -163.45 -78.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.915 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.98 23.87 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.408 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.96 31.42 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.716 ' HB2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -28.01 114.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.945 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.37 -36.46 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.535 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 164.39 -136.32 4.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.759 ' O ' ' N ' ' A' ' 103' ' ' CYS . 70.1 t -147.79 91.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.671 ' HB ' ' HB3' ' A' ' 100' ' ' PHE . 1.4 pt -85.17 164.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.75 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.29 146.2 11.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.633 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 7.9 m170 -71.5 22.02 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -44.32 86.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.568 ' C ' ' H ' ' A' ' 97' ' ' GLY . . . -46.27 170.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.731 ' N ' HD22 ' A' ' 99' ' ' ASN . 13.2 t -68.48 11.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 156.11 -124.36 1.46 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -92.43 1.09 57.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.22 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.731 HD22 ' N ' ' A' ' 96' ' ' SER . 6.9 p30 -64.1 -162.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.671 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 42.4 m-85 -141.54 172.81 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.588 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 27.6 m -161.07 133.15 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.1 OUTLIER -58.83 126.11 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.05 -162.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.749 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -164.76 122.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.471 ' N ' ' HB3' ' A' ' 12' ' ' SER . 9.7 m-20 -137.41 -5.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.661 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 85.6 m-85 -133.89 94.41 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.536 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 11.5 m -100.89 104.81 16.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.0 m -81.49 64.61 6.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.11 -54.13 1.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.426 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 19.4 p -133.12 52.12 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.74 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.09 -175.28 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.749 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.0 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.28 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.71 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -125.47 99.23 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.471 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 64.2 p -63.49 178.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.72 -16.79 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.81 -29.41 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.681 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.93 -39.42 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.575 ' CG1' ' CG2' ' A' ' 78' ' ' VAL . 88.0 t -56.52 -47.27 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.525 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 10.8 t -37.56 -50.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -49.8 -56.12 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.436 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.525 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -56.77 -42.95 80.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.667 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.4 mt-30 -57.21 -54.95 41.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.1 -37.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.212 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB3' HG23 ' A' ' 67' ' ' VAL . . . -74.01 -53.53 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.543 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.63 -40.15 39.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.157 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.771 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 7.2 t80 -72.46 -72.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 36.8 tptt -35.8 -51.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.721 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 13.5 tp -67.67 -35.36 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.807 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 17.4 t60 -66.88 -45.68 77.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.643 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.85 -23.09 65.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 56.2 m-20 -84.26 -22.05 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.08 23.32 71.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.691 ' CB ' ' CD1' ' A' ' 26' ' ' LEU . 3.2 mm-40 -97.7 178.58 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.591 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 82.7 p -136.08 170.4 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.857 ' CG2' ' CE2' ' A' ' 68' ' ' TYR . 3.1 m -133.68 136.14 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.482 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.6 -150.41 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 m -98.87 0.14 43.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.628 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.9 m-20 -94.25 -165.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.2 p -121.79 42.07 3.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.628 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-30 -92.82 148.41 35.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.639 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.96 -172.8 11.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.016 -0.054 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.627 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 -177.74 171.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.546 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.502 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -53.66 168.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.703 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -160.11 -25.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.849 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-80 51.94 -107.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.849 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.4 p-10 153.67 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.05 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 111.066 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.618 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.96 -20.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.49 59.34 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.368 1.043 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.821 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 82.5 m-85 -100.59 136.81 39.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 66.2 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.821 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -70.74 101.58 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -73.14 24.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.663 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 13.4 m -128.17 148.12 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 54' ' ' SER . 7.0 t -85.34 136.56 33.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.172 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.719 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.2 p -41.72 165.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 1.073 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.04 175.89 45.89 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.927 0.147 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 19.7 m-85 -116.38 105.92 13.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.912 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.4 m-30 -92.22 144.94 24.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.703 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -109.22 134.34 51.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 32.6 t-105 -156.45 141.23 12.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.152 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.1 148.62 35.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.525 HG13 ' CB ' ' A' ' 19' ' ' ALA . 4.3 tt -114.16 116.65 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.72 120.77 26.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 p -57.63 -13.93 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.021 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.59 -18.2 39.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.64 34.44 13.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.91 -174.05 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 22' ' ' ALA . 25.1 t -105.15 106.42 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.152 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -42.63 112.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.974 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 p -102.19 -73.33 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' SER . . . -55.88 123.78 31.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.482 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.64 65.41 0.11 Allowed Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.718 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.3 t -149.29 47.8 0.52 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.718 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.04 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.661 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . 20.97 92.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.43 1.081 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.052 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.35 -85.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.254 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 50.4 m-20 -93.1 131.17 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.921 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -151.83 137.34 17.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.859 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.52 129.23 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.976 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.6 t -101.77 137.99 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.8 p90 -153.33 162.45 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.316 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.2 -107.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 1.316 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 30.1 tt0 -39.32 -63.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.237 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.159 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.55 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.89 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.54 22.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.443 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.64 33.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.667 ' HB2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -30.29 114.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.976 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.04 -37.39 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.505 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 170.98 -147.85 10.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.787 ' O ' ' N ' ' A' ' 103' ' ' CYS . 88.8 t -139.12 84.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.588 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -82.74 164.41 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 1.052 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -159.97 158.7 31.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.918 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CE1' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m170 -80.3 -12.93 59.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.548 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -33.76 103.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 35.06 40.5 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.679 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -68.97 58.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 95' ' ' ALA . 0.7 OUTLIER 29.68 35.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.65 -128.33 5.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.5 t-20 -98.99 1.22 45.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.681 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 0.7 OUTLIER -62.72 179.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 28.7 m-85 -123.23 159.99 27.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.598 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 23.8 m -160.12 133.97 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.2 OUTLIER -52.3 125.63 16.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -53.33 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 108.388 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 52.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.506 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -34.87 127.97 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 108.366 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.492 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -127.5 -7.15 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.726 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 79.1 m-85 -134.08 84.04 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.476 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 10.2 m -93.47 103.24 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.9 m -81.39 63.11 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.15 -54.61 1.08 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.441 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 17.4 p -131.45 52.74 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.716 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -141.37 -175.04 4.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.36 60.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 108.339 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.726 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -127.92 96.75 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.954 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.492 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 44.1 p -65.2 -178.14 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.4 p -52.11 -17.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -81.07 -30.17 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.712 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.07 -43.59 16.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.556 ' HB ' ' CD1' ' A' ' 86' ' ' LEU . 92.6 t -53.95 -48.52 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.608 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 41.6 t -37.17 -55.5 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.78 -49.73 27.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' HB1' HG13 ' A' ' 61' ' ' ILE . . . -61.91 -41.64 98.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.773 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 13.9 mt-30 -59.34 -55.68 31.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.77 -36.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.516 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . -75.34 -52.77 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.595 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.61 -40.31 47.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.585 1.178 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 6.4 t80 -74.18 -71.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TYR . 41.9 tptt -35.32 -50.87 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.731 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 11.2 tp -68.3 -35.95 78.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 20.0 t60 -65.89 -44.68 84.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.651 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.17 -28.47 69.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 7.6 m-20 -81.45 -19.43 42.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.48 22.92 76.69 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.689 ' CB ' ' CD1' ' A' ' 26' ' ' LEU . 4.8 mm-40 -97.03 179.59 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 67.1 p -134.82 175.39 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.751 ' CG2' ' CE2' ' A' ' 68' ' ' TYR . 4.5 m -131.87 162.36 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 51.44 -152.58 5.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -99.34 22.47 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.664 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -114.3 -165.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.228 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -120.55 40.37 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.664 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -94.25 150.05 37.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.1 Cg_endo -75.08 -170.16 8.03 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.975 -2.511 . . . . 0.0 110.956 0.061 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.731 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.3 p80 179.18 170.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -47.66 168.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.697 ' O ' ' C ' ' A' ' 43' ' ' ASN . 37.9 t80 -151.15 12.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.697 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -8.03 87.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.779 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -58.63 170.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.13 -42.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -42.46 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 117.94 56.11 0.29 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.648 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 79.7 m-85 -103.62 132.11 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.75 72.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.648 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 21.3 m-30 -74.86 116.57 15.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.6 p -74.0 27.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.682 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 13.1 m -133.91 147.57 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.374 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 54' ' ' SER . 58.1 m -88.69 134.97 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.85 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -43.55 172.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.943 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -75.07 151.07 96.35 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.078 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' TYR . 25.6 m-85 -90.97 113.42 25.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.7 m-30 -97.03 124.87 41.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.731 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -89.85 134.24 34.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.751 ' O ' ' N ' ' A' ' 78' ' ' VAL . 59.1 t-105 -153.42 137.32 10.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.203 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 149.01 36.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.558 1.82 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 11' ' ' TYR . 8.3 tt -113.68 123.17 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.4 mt -90.6 116.76 28.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -53.11 -18.48 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.17 -16.77 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.72 33.47 21.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -109.63 -174.09 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 22' ' ' ALA . 18.1 t -105.31 107.88 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 1.203 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 7.1 t80 -40.52 94.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.454 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 14.4 p -119.91 21.87 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.392 1.057 . . . . 0.0 110.002 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.513 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -101.83 -75.58 1.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 122.6 33.5 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.799 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -141.28 42.3 0.46 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.98 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.799 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -75.04 -101.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.953 ' C ' ' HE ' ' A' ' 77' ' ' ARG . . . 83.38 -83.18 1.62 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.717 ' O ' ' HG2' ' A' ' 77' ' ' ARG . . . -44.46 -103.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.972 ' O ' ' CD ' ' A' ' 77' ' ' ARG . 59.0 m-20 -58.46 127.03 30.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.972 ' CD ' ' O ' ' A' ' 76' ' ' ASP . 5.9 mmt180 -155.78 140.07 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.751 ' N ' ' O ' ' A' ' 59' ' ' TRP . 2.4 m -109.46 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.397 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.927 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.9 t -123.2 139.51 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -153.85 162.85 40.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.296 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.12 -112.15 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 1.296 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 35.7 tt0 -35.68 -62.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.192 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.38 -78.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.902 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.59 21.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.445 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -81.28 27.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.773 ' HB2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -24.26 117.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.927 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.26 -42.51 62.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.38 -139.08 5.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.426 1.079 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.765 ' O ' ' N ' ' A' ' 103' ' ' CYS . 89.7 t -147.16 91.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.775 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -85.76 165.79 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.12 158.0 24.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.56 ' H ' ' HA ' ' A' ' 75' ' ' ALA . 19.4 m170 -83.08 1.61 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.523 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -38.83 91.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.17 41.53 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.422 1.076 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.628 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -63.25 -9.37 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.1 t 97.06 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.18 -131.43 9.05 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.22 3.4 54.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.535 ' ND2' ' C ' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -64.39 159.69 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.775 ' CD1' HG13 ' A' ' 90' ' ' ILE . 11.9 m-85 -114.91 161.76 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.617 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.0 m -161.3 134.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -52.89 125.09 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.7 m -55.6 -164.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 -179.985 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.696 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -104.51 61.6 0.71 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 108.259 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -42.32 -27.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.662 ' CD1' HG22 ' A' ' 89' ' ' VAL . 70.2 m-85 -137.45 104.16 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.569 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -115.02 103.56 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.8 m -79.17 65.83 4.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.69 -46.01 3.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 8' ' ' SER . 1.5 p -161.77 47.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.78 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.6 -165.67 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.39 1.056 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.696 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.82 77.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 108.325 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.928 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.3 m-85 -91.41 43.68 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.842 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.1 p -24.91 148.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.9 p -37.49 -24.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 12' ' ' SER . 28.7 t -81.7 -23.91 36.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.928 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -81.84 -31.14 31.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.659 ' CG1' ' CD1' ' A' ' 86' ' ' LEU . 57.3 t -74.57 -63.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.572 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 3.9 t -38.94 -51.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -50.84 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' CB ' HG13 ' A' ' 78' ' ' VAL . . . -61.04 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.594 ' OE1' HG13 ' A' ' 16' ' ' VAL . 16.7 mt-30 -58.02 -54.68 44.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.11 -41.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB1' ' CG2' ' A' ' 67' ' ' VAL . . . -73.57 -50.97 18.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.593 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.86 -40.35 57.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.708 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.9 t80 -73.99 -73.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.26 -51.79 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.776 ' CD2' ' CG1' ' A' ' 33' ' ' VAL . 53.8 tp -67.15 -36.82 82.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 12.3 t60 -64.34 -43.87 93.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.625 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.19 -26.88 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 60.9 m-20 -78.91 -23.39 44.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.95 19.03 75.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.603 ' CB ' HD13 ' A' ' 26' ' ' LEU . 4.3 mm-40 -97.17 175.86 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.663 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 11.7 p -130.26 177.16 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.776 ' CG1' ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -133.78 135.02 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 75.64 -145.65 33.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -97.96 -7.93 29.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.601 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -83.87 -166.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.9 p -123.43 41.3 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.663 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.3 m-85 -95.29 148.32 34.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.593 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -75.03 -173.15 11.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.916 -2.535 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.675 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 26.5 p80 179.78 171.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.63 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' CD ' ' ND2' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -54.22 168.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.917 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.774 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -160.29 -27.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.864 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 35.1 m-80 52.52 -105.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 109.365 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.864 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.3 p-10 152.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.805 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.43 -46.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.624 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.59 -19.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.03 56.32 0.46 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.602 1.189 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.776 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 85.3 m-85 -100.29 137.15 39.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.24 72.13 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.776 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.4 m-30 -77.1 101.83 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.446 ' C ' HG11 ' A' ' 52' ' ' VAL . 97.6 p -71.74 33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.641 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 22.2 m -137.23 149.56 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 54' ' ' SER . 3.4 m -85.97 130.84 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.792 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -42.37 171.29 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.956 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -74.88 153.16 99.02 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.982 -0.123 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 25.7 m-85 -94.2 111.76 23.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.904 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -94.48 147.26 23.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.675 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.7 pp20? -111.57 135.73 51.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.933 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 55.3 t-105 -154.41 143.81 15.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.933 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.02 152.29 40.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.545 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 15.2 tt -116.87 131.16 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.747 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 72.8 mt -94.5 122.86 37.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -61.51 -9.38 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.22 -11.66 37.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.82 34.29 27.94 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' C ' HD13 ' A' ' 62' ' ' LEU . 17.3 m-20 -114.77 -163.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.497 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 10.4 t -114.18 124.16 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.747 ' CE2' ' CD2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -72.43 102.88 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.951 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.576 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 31.6 p -98.96 -54.89 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.491 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -38.71 -41.84 1.31 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.66 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 85.6 34.88 12.6 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.792 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 46.3 t -125.71 42.63 0.8 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.733 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . 15.48 91.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.733 ' CB ' ' O ' ' A' ' 74' ' ' GLY . . . 140.68 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.63 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 13.0 m-20 -67.37 127.88 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.759 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -150.58 136.76 18.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.89 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -106.16 133.69 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.811 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.9 t -108.33 138.87 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.904 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -154.25 160.03 41.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.545 ' ND2' ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -99.18 -114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 1.363 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 0.8 OUTLIER -39.72 -60.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.197 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.68 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.881 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.3 p30 -81.71 20.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.545 ' CG ' ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -81.01 36.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.701 ' CD2' ' C ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -30.01 114.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.811 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -79.37 -40.18 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.483 ' N ' HD22 ' A' ' 86' ' ' LEU . . . 166.89 -143.31 8.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.7 ' O ' ' N ' ' A' ' 103' ' ' CYS . 36.8 t -147.35 91.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 0.794 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.648 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -83.73 163.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.852 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.74 158.68 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.401 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.745 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.5 m170 -90.44 -8.34 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.513 -179.935 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.09 -18.85 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.525 ' O ' ' CG2' ' A' ' 101' ' ' VAL . . . -125.83 34.57 3.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.62 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . . . -130.73 -44.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 77.03 55.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.428 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.37 -134.6 5.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.568 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -93.57 -10.96 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 0.728 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.68 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.01 157.56 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.745 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -121.0 162.04 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.619 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 32.7 m -161.21 134.08 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -56.5 123.46 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -55.52 -167.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.963 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.717 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -163.43 118.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.35 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER -135.15 -10.08 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.651 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 90.2 m-85 -129.23 95.72 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.506 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 20.3 m -103.15 103.93 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.3 m -81.94 67.12 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.71 -54.75 0.96 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.4 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 6.7 p -132.46 53.73 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.469 0.747 . . . . 0.0 109.996 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.756 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.1 m-80 -141.03 -176.64 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.717 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -176.78 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 108.283 179.946 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.706 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -124.77 100.15 6.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.427 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 79.6 p -63.73 178.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 p -51.46 -17.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.28 -28.83 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.706 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.84 -41.49 17.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.581 ' CG1' ' CD1' ' A' ' 86' ' ' LEU . 98.2 t -55.28 -45.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.549 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 39.5 t -36.76 -50.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -50.42 -54.77 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.482 ' HB3' HG13 ' A' ' 61' ' ' ILE . . . -57.49 -41.9 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.69 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.7 mt-30 -57.94 -55.14 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.78 -36.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.539 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -74.92 -53.45 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.745 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.01 -40.5 43.41 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 8.8 t80 -72.76 -68.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -35.15 -55.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.585 ' CD2' ' HD3' ' A' ' 39' ' ' PRO . 20.6 tp -64.41 -34.33 77.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.861 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 26.5 t60 -67.35 -49.95 61.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -55.48 -27.47 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.18 -16.9 34.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.91 26.93 73.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.546 ' C ' ' CD1' ' A' ' 26' ' ' LEU . 59.6 mm-40 -108.99 170.89 7.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.561 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 81.4 p -122.09 173.49 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.647 ' O ' ' C ' ' A' ' 34' ' ' GLY . 16.5 m -104.59 123.11 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.833 ' O ' ' OG ' ' A' ' 35' ' ' SER . . . -11.69 85.28 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.943 ' CB ' ' N ' ' A' ' 71' ' ' GLY . 51.6 m 154.99 -140.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' SER . 9.6 m-20 -49.94 -154.85 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.634 ' O ' ' O ' ' A' ' 39' ' ' PRO . 19.2 p -108.85 38.43 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.65 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -82.99 141.34 43.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.745 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -74.92 -177.62 21.0 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.634 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.9 p80 -176.25 166.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.612 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.15 168.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.709 ' O ' ' C ' ' A' ' 43' ' ' ASN . 18.9 t80 -151.79 12.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.709 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.5 m-80 -5.88 88.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.8 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.5 p-10 -60.05 176.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.8 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.07 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.964 179.94 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -42.37 -21.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 118.56 56.02 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.65 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 85.5 m-85 -100.32 132.21 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.84 69.62 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.647 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 21.2 m-30 -72.45 118.35 15.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -76.29 25.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.659 ' CG2' ' O ' ' A' ' 85' ' ' GLN . 6.4 m -131.94 147.23 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.501 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.2 m -85.87 135.82 33.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.804 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 5.9 p -39.94 166.39 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 1.075 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -74.98 178.11 36.1 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.069 -0.082 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 42' ' ' TYR . 22.8 m-85 -117.92 107.81 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.975 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -95.02 123.31 38.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.7 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.5 pt-20 -93.45 125.93 38.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 1.11 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 32.4 t-105 -142.64 150.78 55.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 107.978 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 1.11 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.97 151.85 40.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' ' 19' ' ' ALA . 21.1 tt -119.27 113.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 68' ' ' TYR . 97.4 mt -84.23 118.77 24.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t -54.64 -14.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -87.64 -12.67 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.07 34.26 33.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -108.71 -170.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.22 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.539 HG21 ' HB1' ' A' ' 22' ' ' ALA . 39.6 t -114.17 112.05 38.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.683 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 10.3 t80 -41.79 158.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.453 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.5 p -98.36 -24.5 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.794 ' C ' ' OG ' ' A' ' 35' ' ' SER . . . 127.99 151.67 7.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.514 1.133 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.943 ' N ' ' CB ' ' A' ' 35' ' ' SER . . . 101.98 -138.79 14.09 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.645 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 52.9 m -90.27 99.33 1.87 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.96 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.3 Cg_endo -74.9 4.48 4.65 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.74 -102.09 1.45 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.707 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -141.77 -40.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 0.723 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.665 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 3.7 m-20 -62.4 132.02 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.665 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 15.6 mmt-85 -150.8 146.73 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.772 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.63 134.94 54.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.991 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -111.61 134.76 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.975 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -152.34 162.68 40.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.281 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.77 -107.13 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 1.281 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 24.4 tt0 -38.14 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 1.139 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.2 -77.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.901 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -86.68 23.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 1.432 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.54 29.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.69 ' HB2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -27.53 114.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.946 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.991 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -70.62 -38.45 73.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.485 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 168.92 -136.32 4.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.759 ' O ' ' N ' ' A' ' 103' ' ' CYS . 89.2 t -147.41 90.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.547 HD12 ' CG2' ' A' ' 79' ' ' VAL . 2.1 pt -85.99 165.36 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.707 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -155.54 147.31 23.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 -179.923 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.801 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.3 m170 -69.96 8.78 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.596 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.521 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -46.25 72.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.801 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 66.61 -55.58 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.781 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . 40.07 23.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 94' ' ' GLY . 6.9 t 70.27 18.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.072 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 148.34 -128.47 2.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.4 t-20 -95.76 7.86 45.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.781 ' ND2' ' O ' ' A' ' 95' ' ' ALA . 1.3 m-80 -66.07 -159.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.652 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 46.3 m-85 -141.99 165.78 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.638 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 21.6 m -163.73 135.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.607 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.05 125.93 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.341 179.93 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.8 m -55.51 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.342 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -125.56 -10.38 6.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.728 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 86.9 m-85 -131.18 88.11 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 9' ' ' ASN . 7.4 m -99.17 107.93 20.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.114 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 12.4 m -84.11 64.63 8.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.36 -54.06 0.64 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p -130.56 54.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 0.796 . . . . 0.0 109.952 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.798 HD22 ' CG ' ' A' ' 76' ' ' ASP . 5.2 m120 -144.31 -175.09 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.61 61.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.777 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.82 97.23 4.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -63.15 179.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.495 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -50.85 -17.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -80.58 -30.29 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.66 -41.93 17.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.037 HG11 ' CD1' ' A' ' 86' ' ' LEU . 75.6 t -53.36 -51.14 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.525 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.3 t -35.7 -55.83 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.75 -50.55 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.03 -41.68 97.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.646 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.3 mt-30 -59.91 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -34.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.105 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.58 -56.55 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.587 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.55 -43.77 85.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.67 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 3.3 t80 -63.52 -63.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 21.2 tptm -38.78 -61.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.028 HD22 HG13 ' A' ' 33' ' ' VAL . 2.7 tp -57.84 -35.24 70.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.843 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.4 t60 -66.33 -51.05 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.75 -26.22 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -16.66 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.77 22.79 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' HD12 ' A' ' 26' ' ' LEU . 66.5 mm-40 -99.25 176.89 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.935 ' HA ' HD21 ' A' ' 26' ' ' LEU . 76.9 p -129.02 178.57 6.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.028 HG13 HD22 ' A' ' 26' ' ' LEU . 2.9 m -135.09 124.61 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.575 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 85.13 -149.77 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.1 p -95.85 -10.7 28.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -83.49 -163.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.6 p -126.44 46.17 2.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.7 m-85 -96.48 145.43 29.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.872 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -171.86 9.97 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.974 0.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.59 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.0 p80 -178.48 162.35 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' HD3' ' CG ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -44.12 155.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 12.0 t80 -144.4 10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.9 m-20 -7.94 88.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.785 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.8 p30 -51.11 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.785 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.46 -43.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -44.24 -20.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 119.11 54.91 0.27 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.3 m-85 -99.75 133.35 44.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.89 69.05 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.742 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 15.0 m-30 -75.75 102.68 5.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.9 p -71.42 29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.603 ' H ' ' C ' ' A' ' 50' ' ' PHE . 14.4 m -129.87 160.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.678 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.6 t -90.17 147.53 23.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.952 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.872 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -73.02 172.26 8.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.872 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.992 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.613 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-85 -98.18 128.19 44.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.0 m-30 -107.64 126.47 52.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 8.6 pt-20 -92.37 135.14 34.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.09 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 28.1 t-105 -146.74 149.86 37.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.09 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.97 151.93 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.413 1.744 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.91 HD12 ' CG1' ' A' ' 78' ' ' VAL . 9.3 tt -120.56 117.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 68' ' ' TYR . 88.2 mt -87.38 120.66 28.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -57.7 -10.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -90.03 -15.64 31.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.33 38.39 15.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -113.68 -172.73 2.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.105 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.0 t -109.46 108.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.74 ' OH ' ' N ' ' A' ' 72' ' ' SER . 17.5 t80 -43.73 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.429 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 30.3 p -162.37 52.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.648 ' O ' ' CE2' ' A' ' 68' ' ' TYR . . . -161.84 -167.85 22.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.498 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -101.18 -31.85 5.47 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 13.8 m -112.77 83.91 6.19 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.66 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.592 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 149.43 171.89 18.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.81 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -54.47 -45.24 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.798 ' CG ' HD22 ' A' ' 9' ' ' ASN . 7.6 m-20 -59.65 126.33 27.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.66 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -151.59 139.78 20.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.939 ' CG1' HG13 ' A' ' 16' ' ' VAL . 1.9 m -105.73 144.59 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.88 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -121.59 138.81 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.903 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -147.39 -161.64 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.723 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -133.35 -164.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.638 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.5 tt0 -92.79 19.8 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.741 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -106.74 -30.18 9.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 17.4 p-10 110.96 21.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.837 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 40.1 mt-30 -96.04 -175.09 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.037 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -128.96 127.16 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.88 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.7 -39.89 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.519 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 165.13 -137.82 4.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 103' ' ' CYS . 19.7 t -147.98 96.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.806 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -90.64 166.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.81 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.11 150.18 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.732 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.5 m170 -76.43 15.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.74 87.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 35.21 40.27 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.661 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.28 -13.06 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.1 t 99.59 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.008 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 122.04 -131.94 8.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 32.3 t30 -94.58 9.57 38.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.754 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.654 HD22 ' C ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -73.26 158.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.732 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -112.03 167.58 10.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.3 m -162.68 133.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -53.69 125.71 19.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.251 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.114 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.2 m -56.48 -168.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -128.96 -11.03 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.765 ' CB ' HG21 ' A' ' 89' ' ' VAL . 91.1 m-85 -130.17 91.28 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 111.046 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 9' ' ' ASN . 53.5 m -100.22 103.99 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 9.3 m -81.72 65.41 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.7 -55.09 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 12.2 p -130.55 54.52 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.787 ' O ' HG23 ' A' ' 5' ' ' THR . 1.0 OUTLIER -143.23 -176.23 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.728 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.97 101.26 6.49 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -62.72 178.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.461 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -51.89 -17.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.3 t -81.7 -29.39 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.74 -42.59 16.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.045 HG11 HD13 ' A' ' 86' ' ' LEU . 62.0 t -50.26 -50.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' VAL . 12.2 t -36.22 -53.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.81 -54.47 7.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.787 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.56 -41.71 86.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 11.0 mt-30 -59.48 -54.9 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -38.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.921 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.84 -53.14 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -56.37 -41.82 88.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.173 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.656 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 8.8 t80 -67.89 -67.23 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 24.1 tptm -42.15 -53.29 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.961 ' CD2' HG13 ' A' ' 33' ' ' VAL . 11.1 tp -62.9 -35.13 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.872 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.8 t60 -65.75 -47.01 76.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.618 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -62.93 -25.05 68.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.5 m-20 -84.49 -22.11 30.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 24.03 69.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.502 1.127 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.936 ' C ' HD11 ' A' ' 26' ' ' LEU . 24.3 mm-40 -100.91 176.8 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 0.795 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.9 p -128.01 -178.33 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.961 HG13 ' CD2' ' A' ' 26' ' ' LEU . 13.2 m -136.43 131.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 72.38 -149.87 44.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.2 p -97.66 14.24 27.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 0.0 109.943 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -102.76 -167.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -123.01 40.1 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -97.25 145.94 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.587 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.0 -171.58 9.59 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.962 0.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.616 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.3 p80 179.46 162.62 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.58 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.13 168.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.708 ' O ' ' C ' ' A' ' 43' ' ' ASN . 33.2 t80 -151.03 12.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.708 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.9 m120 -7.63 85.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 6.7 p30 -53.25 158.23 1.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.386 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -166.95 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.7 mm-40 -43.26 -21.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.69 57.18 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.695 ' CZ ' ' OH ' ' A' ' 42' ' ' TYR . 81.9 m-85 -100.02 133.24 44.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 0.816 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.45 74.59 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.749 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 18.2 m-30 -81.06 109.01 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -75.11 28.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.06 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' A' ' 50' ' ' PHE . 5.2 m -129.87 158.53 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.693 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 m -88.08 149.7 23.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.889 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -74.71 173.36 6.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.889 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.5 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.031 -0.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.7 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.1 m-85 -97.29 127.3 43.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.872 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 12.4 m-30 -107.9 123.82 49.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.9 pt-20 -92.34 128.95 38.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.018 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 25.2 t-105 -144.03 148.24 41.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.018 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.02 153.19 41.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.787 HG13 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tt -123.73 114.99 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 68' ' ' TYR . 60.6 mt -84.07 121.46 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -7.72 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -88.99 -20.01 24.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.41 8.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.405 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -112.64 -172.66 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.921 HG22 ' HB2' ' A' ' 22' ' ' ALA . 23.8 t -111.24 108.12 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.534 1.146 . . . . 0.0 109.198 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.894 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.4 t80 -40.13 138.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.595 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 18.3 p -149.29 60.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.605 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -159.84 -144.99 4.13 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.737 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.21 -31.85 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 74' ' ' GLY . 84.1 p -116.3 82.65 12.0 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.669 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 43.67 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.056 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 71.28 -97.48 0.68 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.692 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -154.01 -37.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.725 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.7 m-20 -59.51 132.33 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.725 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.6 mmt-85 -151.43 145.15 25.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.952 ' CG1' HG13 ' A' ' 16' ' ' VAL . 5.5 m -113.27 138.9 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 82.2 t -114.24 137.79 46.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.843 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.5 p90 -148.85 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.693 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -140.48 -171.32 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.656 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 11.1 tp10 -87.42 12.0 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.709 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -103.25 -23.23 13.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.182 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.6 p-10 103.65 24.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.628 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 32.7 mt-30 -106.34 133.36 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.045 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.3 131.84 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.17 -39.0 63.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 167.96 -137.08 4.4 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.98 HG12 ' SG ' ' A' ' 103' ' ' CYS . 86.1 t -148.39 90.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.833 HD13 ' CG2' ' A' ' 79' ' ' VAL . 1.6 pt -86.78 166.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.692 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -160.84 150.21 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.611 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.8 m170 -73.4 16.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.716 HG22 ' H ' ' A' ' 94' ' ' GLY . 98.6 m -58.71 -125.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.716 ' H ' HG22 ' A' ' 93' ' ' THR . . . -68.76 49.83 0.48 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -81.74 -31.01 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.9 t 80.5 36.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.053 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.61 -134.24 5.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.162 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 23.3 t30 -96.68 8.13 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' HB2' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -69.98 -165.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.708 ' O ' HG13 ' A' ' 101' ' ' VAL . 38.4 m-85 -141.25 166.18 25.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 100' ' ' PHE . 32.6 m -162.47 134.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.4 125.66 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.9 m -55.42 -165.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.64 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -39.59 -29.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.158 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.3 m-85 -139.25 109.32 6.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.547 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -118.28 106.15 12.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -80.72 66.5 6.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.3 -47.49 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.448 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.8 p -157.96 49.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.807 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -124.27 -166.8 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.64 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.46 76.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.333 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.888 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m-85 -90.67 50.78 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.798 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -27.76 152.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 p -39.15 -23.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.052 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.0 t -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.888 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -82.31 -22.28 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.158 HG21 ' CE2' ' A' ' 4' ' ' TYR . 42.9 t -76.46 -71.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.521 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -41.6 -54.02 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -49.51 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.603 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -60.76 -43.75 97.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 1.061 ' OE1' HG12 ' A' ' 16' ' ' VAL . 8.3 mt-30 -61.52 -58.95 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.88 -36.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.963 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.65 -53.2 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -56.26 -44.44 89.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.584 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.2 t80 -69.48 -63.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 0.769 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 23.0 tptm -34.73 -61.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.98 HD22 HG13 ' A' ' 33' ' ' VAL . 3.0 tp -58.57 -38.22 77.43 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.851 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.2 t60 -64.04 -49.36 72.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -59.31 -26.98 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -88.36 -16.12 33.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.78 22.31 74.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.523 ' HB2' HD12 ' A' ' 26' ' ' LEU . 65.5 mm-40 -99.57 176.06 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.885 ' HA ' HD21 ' A' ' 26' ' ' LEU . 79.1 p -126.76 -178.5 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.172 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.98 HG13 HD22 ' A' ' 26' ' ' LEU . 3.5 m -136.16 123.08 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.565 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 83.32 -148.91 25.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -96.15 -8.66 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.602 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -84.31 -163.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 39' ' ' PRO . 52.6 p -125.99 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -97.62 147.37 32.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.878 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -166.04 4.6 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.995 -0.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.644 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.3 p80 179.63 166.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -46.65 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 33.3 t80 -154.64 14.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -9.6 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 6.7 p30 -52.93 172.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.793 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 176.54 -43.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -44.75 -20.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.6 56.69 0.35 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.709 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 78.1 m-85 -100.46 132.01 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 69.08 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.985 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.7 m-30 -76.77 108.5 9.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -77.0 25.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.526 HG23 ' CE1' ' A' ' 56' ' ' TYR . 9.0 m -125.92 155.42 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.722 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 17.0 m -88.54 145.94 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.869 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -68.95 172.17 5.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.869 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 157.53 99.52 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.985 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.693 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.9 m-85 -98.06 129.35 44.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.914 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.5 m-30 -110.32 126.0 53.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.644 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.9 pp20? -87.24 140.46 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.943 ' O ' ' N ' ' A' ' 78' ' ' VAL . 55.1 t-105 -156.21 144.86 14.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.939 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 146.74 32.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.445 1.761 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.512 HG22 ' CB ' ' A' ' 76' ' ' ASP . 12.4 tt -114.56 116.66 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.612 1.195 . . . . 0.0 109.22 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 66' ' ' ASP . 21.8 mt -87.27 124.46 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.19 0.48 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -99.09 -14.47 19.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.15 39.8 9.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.753 ' HB2' HD13 ' A' ' 62' ' ' LEU . 2.3 m-20 -113.29 -172.08 2.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.963 HG22 ' HB2' ' A' ' 22' ' ' ALA . 6.6 t -117.55 105.06 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.939 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.5 t80 -43.49 91.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' VAL . 87.1 p -101.68 36.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.684 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -137.72 -162.55 9.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.669 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -111.22 -23.16 5.88 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.8 p -115.49 89.01 20.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.789 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.04 -49.7 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.457 1.767 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.64 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 148.24 -109.68 0.47 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.661 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -131.96 -40.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 0.812 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.669 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -64.51 137.7 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.789 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 18.4 mmt-85 -152.91 140.32 19.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.079 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -105.39 127.07 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.161 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.4 t -104.62 122.56 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.1 p90 -135.49 -160.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.722 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -135.9 -166.31 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.612 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 13.9 tt0 -89.03 6.34 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.71 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -96.95 -22.38 16.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.71 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.3 p-10 103.52 22.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.553 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 29.5 mt-30 -107.42 130.33 54.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.079 ' CD2' HG23 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -87.93 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.161 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -69.29 -45.07 70.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.758 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 175.77 -132.52 2.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.931 HG12 ' SG ' ' A' ' 103' ' ' CYS . 42.1 t -150.93 95.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.73 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.732 HD13 HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -87.26 170.22 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.722 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.13 147.29 12.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.163 . . . . 0.0 110.424 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.661 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -64.43 -1.17 1.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.577 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.514 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -80.95 169.86 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 33.96 40.84 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.944 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -116.23 150.54 37.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 0.808 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 t -87.82 32.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 149.24 -130.96 3.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 17.8 t30 -91.59 6.59 45.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.367 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.944 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 5.1 p-10 -63.51 -163.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.674 ' CD1' HG13 ' A' ' 90' ' ' ILE . 41.0 m-85 -139.04 166.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.643 HG13 ' O ' ' A' ' 100' ' ' PHE . 35.0 m -161.22 131.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.2 OUTLIER -54.8 124.72 17.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 69.6 m -56.1 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.726 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.458 ' N ' ' HB3' ' A' ' 12' ' ' SER . 1.0 OUTLIER -137.84 -4.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.832 ' CG ' HG21 ' A' ' 89' ' ' VAL . 90.1 m-85 -134.68 92.59 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 9' ' ' ASN . 9.6 m -98.87 104.54 16.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.9 m -81.46 62.92 5.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.7 -54.27 1.66 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.3 p -132.05 51.28 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 0.811 . . . . 0.0 110.044 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.797 HD22 ' CG ' ' A' ' 76' ' ' ASP . 4.0 m120 -140.58 -175.25 4.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.726 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.97 59.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.267 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.771 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -124.74 100.24 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.953 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.458 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 65.0 p -64.63 -179.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -52.42 -17.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.84 -30.65 32.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.076 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.703 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.92 -40.67 18.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.095 HG11 ' CD1' ' A' ' 86' ' ' LEU . 71.4 t -53.26 -52.13 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.444 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 8.6 t -36.59 -54.08 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.15 -52.77 14.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.816 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.45 -42.23 91.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.668 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.4 mt-30 -60.35 -57.5 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.06 -36.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.051 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -70.13 -56.31 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.566 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.04 -42.67 87.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.65 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.1 t80 -64.92 -63.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.98 -60.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.376 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.966 HD22 HG13 ' A' ' 33' ' ' VAL . 2.2 tp -58.1 -34.7 70.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 61.6 t60 -66.55 -51.98 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.588 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -57.11 -26.95 61.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -17.0 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.69 23.37 72.84 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.49 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.2 mm-40 -97.91 175.91 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 0.798 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.897 ' HA ' HD21 ' A' ' 26' ' ' LEU . 67.4 p -127.33 177.72 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.966 HG13 HD22 ' A' ' 26' ' ' LEU . 2.7 m -137.58 150.49 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.374 1.046 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 61.71 -156.6 35.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.063 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -97.27 32.2 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -127.42 -165.97 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.391 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.5 p -120.25 42.8 2.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.17 . . . . 0.0 110.02 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -95.1 150.6 37.92 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.868 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 -169.07 7.02 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.047 -0.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.531 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 21.5 p80 -177.94 168.92 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.519 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -48.1 169.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 26.3 t80 -154.43 13.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -9.3 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.777 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.1 p30 -51.9 168.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.777 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.37 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.17 -20.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.98 56.53 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.738 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.8 m-85 -101.41 132.63 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.26 70.13 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.85 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 17.3 m-30 -75.77 107.34 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.5 p -74.85 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.559 ' H ' ' C ' ' A' ' 50' ' ' PHE . 5.0 m -127.2 155.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.644 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.3 t -88.79 143.59 26.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.87 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -64.07 171.88 2.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.87 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 157.79 99.4 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.023 -0.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-30 -99.39 119.32 37.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.925 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -101.25 130.54 47.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -92.76 142.69 27.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.836 ' O ' ' N ' ' A' ' 78' ' ' VAL . 27.2 t-105 -161.39 141.14 7.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.173 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.11 148.97 35.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.816 HG13 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tt -118.43 116.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 68' ' ' TYR . 47.0 mt -81.88 122.03 27.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.2 p -57.62 -14.86 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.15 -18.48 46.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.04 12.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.16 -173.38 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.051 HG22 ' HB2' ' A' ' 22' ' ' ALA . 5.1 t -108.22 102.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.173 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -43.09 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.414 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 55.5 p -127.67 37.93 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -112.66 -65.19 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.91 17.29 6.93 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.738 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.4 m -141.68 45.86 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.738 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.792 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.883 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 23.87 93.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.857 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.71 -101.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.797 ' CG ' HD22 ' A' ' 9' ' ' ASN . 41.8 m-20 -71.01 129.37 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.883 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -151.33 133.4 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.974 ' CG1' HG13 ' A' ' 16' ' ' VAL . 4.2 m -107.32 122.95 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.958 ' O ' ' N ' ' A' ' 87' ' ' ALA . 75.5 t -96.09 136.17 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.925 ' O ' ' N ' ' A' ' 57' ' ' TYR . 8.6 p90 -147.17 -164.72 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.664 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.01 -171.71 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.689 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 22.8 tt0 -88.02 18.18 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.714 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -109.62 -23.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 10.0 p-10 105.33 23.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.646 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 35.1 mt-30 -106.5 133.55 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.095 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.47 132.5 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.19 -38.46 63.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.691 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 168.94 -144.45 8.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.978 HG12 ' SG ' ' A' ' 103' ' ' CYS . 84.5 t -143.28 91.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.738 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -86.36 165.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.857 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -159.19 146.24 17.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.643 ' CE1' ' CE1' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -65.09 -14.38 60.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.632 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -73.69 167.82 20.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 38.15 39.58 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.793 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -117.78 174.52 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 0.8 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.784 ' C ' HD22 ' A' ' 99' ' ' ASN . 10.8 t -105.17 45.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 129.34 -122.43 3.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 17.4 t30 -93.98 3.89 54.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.793 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -63.24 -175.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 101' ' ' VAL . 42.0 m-85 -129.76 163.98 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.06 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 100' ' ' PHE . 28.6 m -162.57 133.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -52.55 125.41 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.238 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.2 m -56.12 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.51 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.487 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -131.45 -7.12 3.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.734 ' CB ' HG21 ' A' ' 89' ' ' VAL . 78.4 m-85 -133.99 77.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.19 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.496 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -87.76 104.56 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.0 m -81.5 63.82 5.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.579 1.175 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.27 -54.42 0.62 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -129.96 52.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.785 HD22 ' CG ' ' A' ' 76' ' ' ASP . 5.4 m120 -143.14 -174.97 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.78 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -129.21 96.17 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 110.954 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 43.5 p -61.43 179.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.487 ' HB3' HD21 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -51.65 -17.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.032 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.8 t -82.02 -30.07 31.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.683 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.51 -40.31 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.997 HG11 HD13 ' A' ' 86' ' ' LEU . 96.4 t -56.45 -48.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.509 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.4 t -37.45 -52.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.65 -53.7 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -57.57 -42.96 84.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.509 ' CD ' ' HA ' ' A' ' 17' ' ' SER . 11.1 mt-30 -57.61 -55.79 30.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.55 -34.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.034 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.35 -55.88 6.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.54 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.29 -43.08 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.591 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.0 t80 -65.12 -63.54 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 8.6 tptp -39.16 -62.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.943 HD22 HG13 ' A' ' 33' ' ' VAL . 2.5 tp -56.56 -37.2 70.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.6 t60 -63.55 -49.6 72.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.58 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -59.7 -26.58 65.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -17.06 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.29 23.72 73.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.8 mm-40 -99.99 174.55 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.348 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.829 ' HA ' HD21 ' A' ' 26' ' ' LEU . 73.4 p -123.97 -178.42 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.943 HG13 HD22 ' A' ' 26' ' ' LEU . 2.2 m -140.68 133.55 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.433 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 77.1 -152.55 40.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -96.42 4.16 52.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.939 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.616 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -98.89 -163.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 p -124.77 45.92 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.949 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.616 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -97.71 148.33 34.29 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.84 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -171.59 9.61 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.046 -2.481 . . . . 0.0 111.013 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.636 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 -177.24 156.54 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.632 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -40.97 155.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.716 ' CE2' HD12 ' A' ' 90' ' ' ILE . 1.3 t80 -149.67 -37.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.827 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-20 57.55 -98.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 6.3 p30 152.24 175.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.34 -48.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.641 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.8 mm-40 -44.99 -18.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.497 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.58 55.59 0.45 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.48 1.113 . . . . 0.0 111.096 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.969 ' CE1' HG22 ' A' ' 90' ' ' ILE . 90.5 m-85 -99.27 135.17 41.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 63.9 2.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.832 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 13.6 m-30 -66.49 98.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -72.02 27.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.976 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.611 ' H ' ' C ' ' A' ' 50' ' ' PHE . 13.5 m -124.84 157.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.615 1.197 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.701 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.0 m -88.2 143.83 26.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.836 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -66.4 171.09 4.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.836 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.99 157.12 99.81 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.65 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.6 m-85 -98.88 115.99 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.919 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.4 m-30 -98.71 131.82 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.699 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 3.2 pt-20 -95.51 138.51 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.83 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 24.9 t-105 -154.66 145.42 16.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.2 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 149.02 36.09 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.596 HG13 ' HB2' ' A' ' 19' ' ' ALA . 5.1 tt -116.69 121.83 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 66' ' ' ASP . 56.9 mt -89.41 122.69 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -6.83 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.69 -17.03 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.23 36.88 10.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.616 ' HB2' HD13 ' A' ' 62' ' ' LEU . 2.1 m-20 -110.66 -169.51 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.034 HG22 ' HB2' ' A' ' 22' ' ' ALA . 8.6 t -114.18 105.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.2 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.8 t80 -46.45 102.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.407 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 59.9 p -116.04 44.06 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 1.056 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -155.15 129.41 2.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.459 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -50.7 -8.07 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.55 ' H ' ' C ' ' A' ' 70' ' ' GLY . 87.7 p -114.0 82.32 6.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.805 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.753 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.699 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 145.6 -108.5 0.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.569 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -131.48 -44.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.785 ' CG ' HD22 ' A' ' 9' ' ' ASN . 19.8 m-20 -62.47 132.71 53.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.717 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 12.1 mmt-85 -150.28 145.25 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -115.75 136.33 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.949 ' O ' ' N ' ' A' ' 87' ' ' ALA . 71.4 t -111.73 136.1 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.919 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.9 p90 -145.91 -162.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.701 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -136.1 -171.77 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.672 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 14.9 tt0 -87.68 17.17 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.706 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -108.67 -22.82 12.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.706 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.3 p-10 103.92 24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.624 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 29.2 mt-30 -106.95 133.6 51.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.997 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.08 131.78 34.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.949 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.46 -42.05 65.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.62 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 172.03 -143.17 7.31 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' SG ' ' A' ' 103' ' ' CYS . 88.0 t -144.64 91.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.969 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -87.07 166.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.629 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -163.05 153.45 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.645 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.7 m170 -76.31 13.37 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -48.12 88.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.355 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.39 41.51 0.1 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.638 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -59.52 -11.62 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.5 t 98.08 46.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.051 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 122.67 -130.04 7.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -95.85 4.76 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.623 HD22 ' C ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -67.56 162.47 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.739 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.0 m-85 -114.99 168.37 9.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.1 m -162.72 133.56 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -58.51 124.83 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.7 m -55.51 -164.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.103 . . . . 0.0 108.298 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.449 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.492 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.417 ' N ' ' HB2' ' A' ' 12' ' ' SER . 11.1 m-20 -129.38 -7.69 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.857 ' CG ' HG21 ' A' ' 89' ' ' VAL . 84.3 m-85 -133.93 88.04 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.47 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 6.1 m -95.86 105.74 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 30.1 m -82.36 61.8 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.73 -55.71 1.7 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 23.0 p -130.8 52.16 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.747 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.714 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.94 -174.5 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.07 61.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.745 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.05 98.19 5.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 13' ' ' SER . 1.2 t -63.59 179.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.502 ' N ' ' OG ' ' A' ' 12' ' ' SER . 1.6 p -50.84 -17.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -81.29 -30.46 33.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.725 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.01 -41.88 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.961 HG13 ' CG1' ' A' ' 78' ' ' VAL . 49.2 t -49.37 -49.68 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -40.66 -51.2 3.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.1 m -46.66 -58.48 3.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.838 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -55.81 -43.84 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.572 ' OE1' ' HB2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -58.38 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.9 -35.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.76 -53.45 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.383 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.588 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -57.3 -41.66 93.13 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.66 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 9.9 t80 -66.45 -67.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 56.0 tptt -43.07 -51.65 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.945 HD11 ' C ' ' A' ' 31' ' ' GLU . 11.8 tp -63.83 -35.17 79.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.859 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 48.8 t60 -65.84 -45.64 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.572 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.601 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.41 -23.8 66.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 13.4 m-20 -83.42 -23.09 32.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.22 22.46 68.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.945 ' C ' HD11 ' A' ' 26' ' ' LEU . 20.5 mm-40 -100.2 -179.24 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.57 ' N ' HD11 ' A' ' 26' ' ' LEU . 70.3 p -135.29 -179.65 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.877 HG13 ' CD2' ' A' ' 26' ' ' LEU . 4.4 m -136.38 137.05 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 70' ' ' GLY . . . 70.58 -152.55 50.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.573 1.17 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -97.95 23.67 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.622 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -114.72 -166.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . 7.1 p -122.71 40.69 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -94.64 145.81 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.588 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -75.09 -172.09 10.32 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.033 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.495 ' CE1' ' OE2' ' A' ' 58' ' ' GLU . 32.4 p80 178.98 167.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 17.1 tptm -45.47 161.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.707 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 29.5 t80 -146.13 11.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.704 ' C ' ' O ' ' A' ' 42' ' ' TYR . 6.0 m-80 -7.3 86.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.769 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.6 p30 -53.14 171.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.769 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.73 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -44.23 -20.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.57 56.08 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.774 ' CE1' HG22 ' A' ' 90' ' ' ILE . 83.9 m-85 -100.8 132.55 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.59 70.89 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.885 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 18.3 m-30 -76.84 106.5 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.6 p -74.6 27.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.958 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG11 ' O ' ' A' ' 86' ' ' LEU . 6.5 m -126.58 157.29 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.698 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 7.5 t -89.34 146.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.866 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -69.49 171.63 6.64 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.866 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.02 157.01 99.86 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.976 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.733 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.3 m-85 -98.87 126.65 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.859 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.2 m-30 -106.89 124.67 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 13.8 pt-20 -91.93 137.94 31.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.845 ' O ' ' N ' ' A' ' 78' ' ' VAL . 26.3 t-105 -155.77 144.71 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.032 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.023 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 145.8 31.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.838 HG13 ' HB2' ' A' ' 19' ' ' ALA . 2.4 tt -116.41 113.87 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 68' ' ' TYR . 65.4 mt -82.6 119.39 24.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -15.17 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -80.44 -19.38 46.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.1 33.93 11.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.45 -173.71 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 16.4 t -112.02 104.71 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.023 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.5 t80 -42.54 95.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.475 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.5 p -97.54 3.12 50.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.655 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -96.32 -158.81 31.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.761 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -145.5 28.54 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.66 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 60.2 p -147.01 50.98 1.04 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.66 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.05 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.95 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 8.08 99.64 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.841 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 157.24 -70.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.228 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.729 ' HB3' HG23 ' A' ' 61' ' ' ILE . 56.8 m-20 -114.58 131.8 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.95 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -151.42 140.82 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.961 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.1 m -113.39 123.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.913 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.7 t -96.08 134.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.849 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.4 p90 -147.25 -159.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.698 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -139.41 -172.41 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.684 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 6.6 tt0 -86.06 10.77 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.703 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -102.02 -23.62 14.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.703 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.5 p-10 103.92 23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.649 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 32.8 mt-30 -104.99 133.83 49.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.028 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -85.16 131.74 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.913 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.32 -43.33 57.14 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 175.28 -138.74 4.41 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.975 HG12 ' SG ' ' A' ' 103' ' ' CYS . 92.5 t -148.92 89.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.774 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.83 165.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.841 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 1.1 t -163.27 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.638 ' NE2' ' CE1' ' A' ' 100' ' ' PHE . 14.0 m-70 -92.11 -25.53 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.652 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -17.42 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.798 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -120.04 31.23 5.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.816 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -132.97 133.32 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.5 t -86.99 30.39 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.36 -132.66 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 32.0 t30 -94.66 -4.41 47.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.816 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 3.1 p-10 -64.82 173.02 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.647 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 27.2 m-85 -124.51 166.81 15.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 94' ' ' GLY . 21.0 m -161.78 135.15 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -54.11 126.67 23.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.27 -163.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.661 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.422 ' OD1' ' HA ' ' A' ' 12' ' ' SER . 6.8 m-20 -39.58 -29.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.076 ' CE2' HG21 ' A' ' 16' ' ' VAL . 76.6 m-85 -139.85 112.46 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.704 HG23 ' H ' ' A' ' 9' ' ' ASN . 2.2 m -121.49 106.19 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.8 m -80.29 68.03 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.63 -48.78 3.94 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.6 p -158.48 49.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.776 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.97 -166.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.8 t -171.65 77.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.898 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.1 m-85 -91.09 51.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.794 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -28.51 152.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.003 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.8 p -39.01 -23.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.8 t -80.36 -26.37 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.948 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -81.79 -22.17 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.076 HG21 ' CE2' ' A' ' 4' ' ' TYR . 13.1 t -74.18 -71.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 23.1 t -40.82 -53.55 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.87 -49.32 20.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.898 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -61.54 -44.5 96.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 1.019 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.3 mt-30 -61.87 -57.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.03 -41.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.999 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.58 -56.74 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.616 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.39 -43.05 65.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.637 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 2.8 t80 -67.06 -69.13 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -42.92 -54.29 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.011 HD21 HG13 ' A' ' 33' ' ' VAL . 58.3 tp -61.4 -33.25 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.852 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 38.5 t60 -68.88 -50.76 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -56.73 -25.41 54.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -85.5 -19.72 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.19 23.72 77.0 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HB2' HD12 ' A' ' 26' ' ' LEU . 44.7 mm-40 -98.42 175.32 6.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.466 0.744 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 80.3 p -128.76 179.37 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.011 HG13 HD21 ' A' ' 26' ' ' LEU . 5.0 m -136.11 128.76 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.53 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.14 -145.7 29.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.1 p -96.25 -14.67 22.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 110.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.575 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 3.1 m-20 -76.36 -165.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 5.3 p -125.9 42.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.59 144.59 28.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.814 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.93 -173.59 12.55 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.003 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.487 ' NE2' ' CD ' ' A' ' 58' ' ' GLU . 31.7 p80 179.12 154.72 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.467 1.104 . . . . 0.0 109.539 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' HIS . 7.7 ttpt -40.53 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.743 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -154.92 -28.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.819 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-20 49.35 -98.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.819 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 5.5 p30 153.86 173.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.99 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.1 mp0 -45.61 -18.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.66 55.75 0.45 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.844 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.0 m-85 -99.67 132.51 44.96 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.25 61.76 3.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.847 ' CD1' ' HB1' ' A' ' 87' ' ' ALA . 13.9 m-30 -65.15 100.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.22 22.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.631 HG23 ' HE1' ' A' ' 56' ' ' TYR . 16.1 m -122.74 161.91 23.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.025 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 64.8 m -83.6 175.79 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.878 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -102.69 172.27 4.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.878 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -75.0 158.88 98.73 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.972 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -96.87 123.17 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.861 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.5 m-30 -103.33 136.75 42.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -101.96 140.63 35.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.055 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 46.4 t-105 -155.58 148.41 18.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.055 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.11 150.75 38.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.032 ' HB ' HG12 ' A' ' 78' ' ' VAL . 10.1 tt -114.58 131.37 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.735 HD23 ' CE2' ' A' ' 68' ' ' TYR . 46.1 mt -96.52 122.53 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.8 t -68.29 7.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -109.64 -8.66 14.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 39.67 23.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.566 ' HB2' HD13 ' A' ' 62' ' ' LEU . 8.7 m-20 -120.68 -162.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.999 HG22 ' HB2' ' A' ' 22' ' ' ALA . 15.4 t -119.31 122.19 68.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.826 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -76.03 113.91 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.904 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 51.9 p -135.0 57.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 72' ' ' SER . . . -139.07 -5.15 1.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.53 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 78.27 -19.87 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 70' ' ' GLY . 3.8 m -114.42 78.7 4.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.826 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.95 -54.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.629 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.69 -107.02 0.44 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.58 1.175 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.815 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -128.2 -42.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 0.719 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.686 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.1 133.94 56.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.824 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 mmt-85 -152.0 142.25 22.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.054 HG23 HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -109.66 126.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.029 ' O ' ' N ' ' A' ' 87' ' ' ALA . 60.3 t -103.59 137.44 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.861 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -146.33 -158.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.025 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.15 -168.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.611 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 11.0 tt0 -89.64 15.25 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.723 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -105.93 -22.64 12.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.3 p-10 105.38 21.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.572 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 27.0 mt-30 -108.62 132.41 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.058 ' CD1' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -89.31 136.32 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.365 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.029 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -68.22 -44.37 75.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.653 ' O ' HD11 ' A' ' 86' ' ' LEU . . . 174.25 -132.93 2.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.913 HG12 ' SG ' ' A' ' 103' ' ' CYS . 44.7 t -149.97 93.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.844 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -86.05 171.06 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.698 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -165.21 151.14 9.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.815 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 8.2 m170 -79.43 12.93 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.4 m -48.23 84.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 33.72 35.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.881 ' C ' HD22 ' A' ' 99' ' ' ASN . . . -51.45 -36.81 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.718 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 13.3 t 136.84 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 117.2 -117.95 3.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 38.9 t30 -95.25 -9.67 32.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.881 HD22 ' C ' ' A' ' 95' ' ' ALA . 25.3 p-10 -61.03 150.84 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.769 ' CD1' HG13 ' A' ' 90' ' ' ILE . 21.3 m-85 -105.36 171.62 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.0 m -163.36 132.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -59.11 125.75 24.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 85.4 m -55.89 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 0.0 108.26 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.392 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.658 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -28.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.144 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.9 m-85 -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.57 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.0 m -118.39 102.45 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 25.3 m -78.78 66.22 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 108.335 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 -48.71 3.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -158.93 48.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.801 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.36 -167.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.658 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.6 t -171.87 76.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.894 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 15.9 m-85 -90.85 48.48 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.824 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -25.31 149.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 15.0 p -38.48 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.0 t -82.03 -24.73 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.894 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -81.86 -26.79 33.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.144 HG21 ' CE2' ' A' ' 4' ' ' TYR . 96.6 t -77.42 -69.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' VAL . 45.7 t -36.57 -51.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -48.7 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 1.015 ' OE1' HG12 ' A' ' 16' ' ' VAL . 14.7 mt-30 -59.43 -56.69 18.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.54 -39.92 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.055 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.56 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -54.62 -42.6 77.56 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.661 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.2 t80 -65.53 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.5 tptm -39.69 -59.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.99 HD22 HG13 ' A' ' 33' ' ' VAL . 2.7 tp -59.67 -33.74 71.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 51.6 t60 -67.44 -50.72 58.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.601 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.81 -26.1 63.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -18.91 25.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.11 66.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HB2' HD12 ' A' ' 26' ' ' LEU . 7.2 mm-40 -97.47 175.63 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.237 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.866 ' HA ' HD21 ' A' ' 26' ' ' LEU . 64.4 p -127.04 177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.99 HG13 HD22 ' A' ' 26' ' ' LEU . 2.5 m -139.59 134.74 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 78.87 -151.07 35.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -96.15 -6.51 38.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 0.763 . . . . 0.0 109.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.614 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -89.99 -163.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.2 p -124.16 46.49 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -95.19 147.53 33.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.876 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.98 -168.21 6.29 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.016 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.62 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.2 p80 179.93 163.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 15.8 ttpp -50.61 152.2 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.787 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -147.09 -32.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.848 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.6 m120 51.96 -96.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.848 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.8 p-10 153.03 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.361 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.44 -47.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.634 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 49.7 mt-10 -45.87 -19.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.09 55.33 0.41 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.897 ' CE1' HG22 ' A' ' 90' ' ' ILE . 95.7 m-85 -98.63 136.23 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.97 67.87 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.744 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.0 m-30 -73.52 97.84 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -73.14 29.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.74 HG23 ' HE1' ' A' ' 56' ' ' TYR . 16.5 m -127.14 159.53 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.651 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 15.7 t -87.54 144.09 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.949 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.868 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -68.85 172.0 5.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.05 159.17 98.35 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.946 0.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.74 ' HE1' HG23 ' A' ' 52' ' ' VAL . 20.3 m-85 -100.8 116.47 32.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.942 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.8 m-30 -98.6 137.45 37.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.62 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.9 pp20? -102.7 135.71 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.02 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 33.1 t-105 -149.02 148.07 25.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 107.96 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.02 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.609 HD11 ' HB3' ' A' ' 11' ' ' TYR . 15.6 tt -120.09 129.97 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.807 HD23 ' CE2' ' A' ' 68' ' ' TYR . 73.5 mt -95.59 123.22 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.5 m -64.7 -0.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -103.03 -8.37 20.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.79 40.62 30.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.474 ' C ' HD12 ' A' ' 62' ' ' LEU . 5.4 m-20 -121.41 -166.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.055 HG22 ' HB2' ' A' ' 22' ' ' ALA . 24.0 t -108.48 123.29 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.807 ' CE2' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -74.06 137.29 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.469 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.9 p -156.5 63.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.506 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . -138.49 -58.66 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.666 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 131.2 -20.15 4.77 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 38.3 t -120.02 61.49 7.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.766 ' HA ' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.99 48.52 2.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.773 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.98 -110.77 3.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.761 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -140.91 -30.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.643 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -62.17 126.83 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.643 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.1 mmt-85 -148.6 145.2 27.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.797 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -104.82 138.1 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.9 t -112.42 137.73 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.942 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.7 p90 -147.96 -163.93 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.696 ' ND2' ' HB2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -134.53 -172.68 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.661 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 8.9 tp10 -87.27 14.74 7.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -105.86 -23.96 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 9.3 p-10 105.93 24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.696 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 47.6 mt-30 -105.95 134.65 48.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.126 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -87.71 130.6 34.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.8 -35.25 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 159.22 -139.26 6.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' SG ' ' A' ' 103' ' ' CYS . 37.8 t -147.73 98.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.897 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -84.2 162.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.76 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -165.86 162.74 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.761 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 12.2 m170 -92.63 -5.63 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.83 -20.71 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.684 ' C ' HG21 ' A' ' 101' ' ' VAL . . . -132.2 38.07 1.95 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.723 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -127.65 -45.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.4 t 74.73 54.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.498 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.4 -134.98 5.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 21.8 t-20 -92.79 -11.24 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 0.809 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.723 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -63.61 160.44 16.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.4 m-85 -121.87 165.3 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 100' ' ' PHE . 30.2 m -163.78 134.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -57.21 121.66 10.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.5 m -54.32 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' HB2' ' OG ' ' A' ' 12' ' ' SER . 7.3 m-20 -65.16 -19.16 65.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.232 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.755 ' CG ' HG21 ' A' ' 89' ' ' VAL . 87.8 m-85 -122.85 145.54 48.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER -153.06 105.63 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.445 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.197 ' CB ' ' SG ' ' A' ' 103' ' ' CYS . 21.2 m -81.61 61.93 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 -55.37 1.03 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.4 p -128.2 53.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 0.765 . . . . 0.0 109.947 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.782 HD22 ' CG ' ' A' ' 76' ' ' ASP . 3.7 m120 -140.24 -175.13 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.24 66.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 108.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.76 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.91 100.03 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -61.98 -177.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -55.14 -15.81 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.6 t -82.48 -31.26 29.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.67 -37.79 24.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.039 HG11 HD12 ' A' ' 86' ' ' LEU . 67.9 t -58.29 -54.03 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.45 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -36.59 -53.71 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.35 -51.5 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.59 -42.26 98.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 10.0 mt-30 -58.48 -57.46 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.42 -35.6 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.036 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.2 -56.69 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.616 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.91 -43.29 87.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.675 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t80 -64.03 -62.88 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.954 HD22 HG13 ' A' ' 33' ' ' VAL . 3.4 tp -57.72 -34.02 69.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.9 t60 -66.62 -51.97 50.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -55.68 -27.79 52.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.62 -16.15 33.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.78 23.43 74.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.92 175.31 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.951 ' HA ' HD21 ' A' ' 26' ' ' LEU . 72.4 p -129.61 173.14 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.646 1.216 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.954 HG13 HD22 ' A' ' 26' ' ' LEU . 2.0 m -128.6 132.6 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.8 -152.86 39.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 m -94.01 -12.45 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.617 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -80.24 -162.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 90.6 p -126.13 47.94 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.947 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.617 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -100.55 143.66 26.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.864 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.96 -169.97 7.82 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.007 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.583 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 35.1 p80 -177.88 162.01 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.54 151.56 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.743 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.7 t80 -143.89 -38.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.84 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.2 m120 59.41 -100.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.84 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 4.4 p30 153.04 178.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 168.26 -46.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 111.068 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.601 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 9.3 mm-40 -47.29 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.87 53.63 0.48 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 90' ' ' ILE . 91.8 m-85 -97.29 135.17 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 68.5 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.785 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -74.63 94.23 2.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.1 p -69.98 31.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.645 HG23 ' HE1' ' A' ' 56' ' ' TYR . 12.6 m -129.28 159.48 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.66 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 24.6 m -87.64 146.41 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.864 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -70.29 171.76 7.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.864 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.95 158.86 98.73 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.996 0.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -100.16 116.94 33.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.898 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.7 m-30 -98.98 134.87 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.629 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.2 pt-20 -103.22 129.06 50.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.111 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 13.3 t-105 -142.79 151.78 57.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.111 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.664 ' HB ' HG13 ' A' ' 78' ' ' VAL . 2.6 tt -119.88 123.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 68' ' ' TYR . 96.0 mt -90.73 124.57 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -16.68 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -86.76 -19.93 28.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.05 31.99 18.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.17 -173.29 2.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.036 HG22 ' HB2' ' A' ' 22' ' ' ALA . 51.3 t -102.1 109.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.704 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 35.6 t80 -47.51 172.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.686 ' O ' ' N ' ' A' ' 34' ' ' GLY . 69.3 p -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.679 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . 131.06 149.33 6.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.519 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 110.56 -103.85 1.7 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.55 ' C ' ' OH ' ' A' ' 68' ' ' TYR . 52.3 p -112.6 81.34 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.787 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -74.99 51.79 2.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.67 -91.43 0.17 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.762 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -159.76 -38.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.782 ' CG ' HD22 ' A' ' 9' ' ' ASN . 9.8 m-20 -59.8 132.6 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.728 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 3.3 mmt-85 -152.17 147.0 25.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.937 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.4 m -115.89 134.94 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.887 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.0 t -109.61 138.83 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.898 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -148.76 -159.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.66 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.11 -171.91 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.675 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 7.8 tt0 -86.97 11.21 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.715 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -102.68 -24.09 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.715 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 9.5 p-10 105.03 23.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.656 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 34.3 mt-30 -104.96 134.68 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.075 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -84.69 132.77 34.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.21 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.887 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.88 -43.39 54.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 89' ' ' VAL . . . 172.26 -130.95 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.8 ' O ' ' N ' ' A' ' 103' ' ' CYS . 57.3 t -153.66 94.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.8 pt -89.89 167.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.762 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.3 150.98 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.425 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.634 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.0 m-70 -75.69 13.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.604 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -48.57 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.16 42.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.655 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.59 -11.58 3.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 0.82 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.666 ' C ' HD22 ' A' ' 99' ' ' ASN . 3.7 t 98.68 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 121.81 -131.82 8.66 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 29.8 t30 -95.1 11.72 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.666 HD22 ' C ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -75.07 164.29 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.785 ' O ' HG13 ' A' ' 101' ' ' VAL . 26.8 m-85 -116.92 166.97 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.785 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.7 m -163.98 138.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -50.15 129.31 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.197 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 12.3 m -53.63 -24.29 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 5' ' ' THR . 10.0 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.587 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' CYS . 70.5 m-20 -39.35 -29.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.094 ' CE2' HG21 ' A' ' 16' ' ' VAL . 75.3 m-85 -138.98 112.85 8.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER -121.2 109.29 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 0.0 110.42 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.6 m -82.63 63.04 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.63 -45.17 3.32 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -160.13 48.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.766 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.81 -165.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 46.7 t -173.06 78.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.898 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.9 51.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -28.13 152.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 p -38.92 -23.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -80.9 -26.17 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -81.8 -23.4 36.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.094 HG21 ' CE2' ' A' ' 4' ' ' TYR . 22.3 t -72.61 -70.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.419 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 5.2 t -39.55 -53.13 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.91 -49.22 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.789 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -60.53 -44.19 96.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.748 ' OE1' HG12 ' A' ' 16' ' ' VAL . 13.7 mt-30 -58.92 -56.5 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.46 -39.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.089 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.81 -55.61 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.531 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -55.03 -41.6 78.15 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.698 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.6 t80 -69.96 -66.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.568 0.805 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.4 tptp -43.48 -55.67 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.943 ' CD2' HG13 ' A' ' 33' ' ' VAL . 12.7 tp -60.5 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.858 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 40.9 t60 -66.65 -47.33 72.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.606 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.77 -24.54 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-20 -85.09 -23.81 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.74 23.11 70.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.932 ' C ' HD11 ' A' ' 26' ' ' LEU . 22.9 mm-40 -97.74 176.16 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 78.5 p -130.05 174.68 9.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.943 HG13 ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -137.07 133.61 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.481 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 78.89 -150.19 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.5 p -96.77 -5.16 39.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 0.736 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.604 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -87.76 -164.33 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . 22.1 p -124.05 43.43 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.5 m-85 -94.27 145.64 30.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.625 1.203 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -172.95 11.48 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.975 0.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.2 p80 176.76 162.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.657 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 2.0 tttp -43.38 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.758 ' CE2' HD12 ' A' ' 90' ' ' ILE . 32.7 t80 -151.93 13.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -9.01 87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 6.2 p30 -48.38 160.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -171.57 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.812 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 24.2 mt-10 -44.44 -20.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.175 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.88 54.85 0.39 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.711 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 87.4 m-85 -98.53 135.67 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.24 68.43 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.893 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.5 m-30 -75.96 106.72 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -76.4 25.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.649 HG23 ' CE1' ' A' ' 56' ' ' TYR . 15.4 m -125.01 156.65 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.74 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.6 t -88.03 148.24 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.879 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -73.06 172.84 7.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.879 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.99 158.12 99.2 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.99 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.689 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.2 m-85 -98.8 130.39 45.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.915 ' N ' ' O ' ' A' ' 80' ' ' PHE . 11.3 m-30 -110.29 121.16 44.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.622 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.23 132.1 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.129 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 31.0 t-105 -147.89 150.18 35.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.129 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 148.83 35.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 19' ' ' ALA . 11.9 tt -113.28 120.3 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 68' ' ' TYR . 62.0 mt -85.97 127.85 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -67.6 2.94 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -107.61 -11.17 15.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.18 41.41 17.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.534 ' C ' HD12 ' A' ' 62' ' ' LEU . 4.3 m-20 -126.56 -174.11 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.089 HG22 ' HB2' ' A' ' 22' ' ' ALA . 61.9 t -96.3 122.76 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.703 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 63.1 t80 -69.63 167.59 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.635 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 53.8 p -164.4 71.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.481 ' CA ' ' HA3' ' A' ' 34' ' ' GLY . . . -174.61 -154.91 11.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.672 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . -120.53 -23.21 2.9 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.577 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 8.4 p -112.63 70.01 1.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.846 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.1 Cg_endo -75.0 52.37 3.04 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.756 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 62.17 2.48 4.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 74' ' ' GLY . . . 93.39 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.69 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.03 135.57 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.607 1.192 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.796 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 2.9 mmt-85 -150.27 138.34 20.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.073 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -105.12 126.13 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.114 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -102.87 124.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.915 ' O ' ' N ' ' A' ' 57' ' ' TYR . 9.2 p90 -137.97 -161.45 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.74 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -134.54 -169.79 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.698 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 14.7 tt0 -88.19 13.29 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.722 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -104.13 -24.44 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 10.4 p-10 106.96 22.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.624 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 46.4 mt-30 -106.9 131.75 53.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.074 HD22 ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -89.52 135.44 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.114 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.5 -43.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.762 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 175.57 -129.51 1.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.805 HG12 ' SG ' ' A' ' 103' ' ' CYS . 54.7 t -157.17 92.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.831 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -88.27 176.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.608 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.65 146.29 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.701 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 9.8 m-70 -72.46 10.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.657 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.17 86.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.53 37.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.937 ' C ' HD22 ' A' ' 99' ' ' ASN . . . -50.94 -36.08 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 13.0 t 137.17 40.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.72 -118.68 4.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -95.03 -8.16 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.937 HD22 ' C ' ' A' ' 95' ' ' ALA . 26.9 p-10 -61.43 168.87 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.831 ' CD1' HG13 ' A' ' 90' ' ' ILE . 32.6 m-85 -120.64 172.23 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.062 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 100' ' ' PHE . 23.4 m -164.59 134.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.48 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.4 mt-10 -50.03 131.69 23.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 13.5 m -53.83 -28.95 38.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 5' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.494 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.487 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.5 OUTLIER -129.38 -7.73 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.824 ' CG ' HG21 ' A' ' 89' ' ' VAL . 81.7 m-85 -133.92 84.07 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.483 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.3 m -93.22 104.43 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -81.28 63.11 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.384 1.053 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.36 -53.59 0.86 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 p -131.53 51.32 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.834 HD22 ' CG ' ' A' ' 76' ' ' ASP . 4.1 m120 -141.37 -175.62 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.64 61.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.754 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.23 97.01 4.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.487 ' HB2' ' N ' ' A' ' 3' ' ' ASP . 3.2 t -64.69 179.54 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.477 ' N ' ' OG ' ' A' ' 12' ' ' SER . 5.3 p -51.09 -17.34 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.5 t -81.96 -29.87 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.679 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.48 -42.92 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.95 HG11 ' HG ' ' A' ' 86' ' ' LEU . 72.7 t -52.13 -51.4 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 12.2 t -35.35 -55.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.03 -50.62 35.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -62.58 -41.65 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.695 ' OE1' HG12 ' A' ' 16' ' ' VAL . 8.9 mt-30 -60.06 -55.96 27.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -37.33 -34.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.978 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.25 -55.78 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.626 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.24 -42.13 87.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.638 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.5 t80 -67.48 -61.8 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 0.716 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.0 tptp -38.83 -60.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.015 HD22 HG13 ' A' ' 33' ' ' VAL . 2.2 tp -59.82 -32.86 71.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.823 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 49.9 t60 -67.61 -53.08 31.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 109.576 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -55.62 -27.18 48.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.15 -17.24 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.97 73.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.33 175.57 6.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.984 ' HA ' HD21 ' A' ' 26' ' ' LEU . 24.3 p -129.43 171.89 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.015 HG13 HD22 ' A' ' 26' ' ' LEU . 2.3 m -125.6 134.3 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.66 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 75.65 -154.9 46.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 -14.97 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.692 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.3 m-20 -78.79 -158.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 30.8 p -128.88 52.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.692 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -104.56 142.88 25.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.84 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.92 -167.0 5.27 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.037 -0.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.6 p80 -179.34 163.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.6 155.24 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.717 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.3 t80 -148.85 -34.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.839 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.4 m-20 54.09 -96.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.839 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 5.8 p30 153.39 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.802 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.54 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.65 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 mt-10 -46.19 -18.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.19 54.99 0.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.903 ' CE1' HG22 ' A' ' 90' ' ' ILE . 88.2 m-85 -101.5 134.64 44.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.26 66.52 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -70.1 94.97 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.13 29.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.857 HG23 ' CE1' ' A' ' 56' ' ' TYR . 20.8 m -121.66 160.27 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.663 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.9 t -89.6 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.833 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -64.71 170.22 4.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.075 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.833 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.95 159.04 98.58 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.975 -2.511 . . . . 0.0 111.018 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.857 ' CE1' HG23 ' A' ' 52' ' ' VAL . 19.7 m-85 -99.95 117.14 33.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.918 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -98.73 131.44 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.643 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 11.9 pt-20 -101.64 130.21 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.935 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.5 t-105 -140.71 145.82 41.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.935 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 139.01 23.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.651 HG23 ' HB3' ' A' ' 76' ' ' ASP . 5.8 tt -112.55 113.51 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.85 HD21 ' HD1' ' A' ' 68' ' ' TYR . 54.6 mt -82.81 124.99 30.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -53.88 -21.4 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -15.77 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.18 34.5 29.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.59 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.978 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.1 t -102.38 103.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.85 ' HD1' HD21 ' A' ' 62' ' ' LEU . 36.8 t80 -42.32 144.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 60.2 p -98.22 27.23 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.74 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 67.74 158.38 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.504 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 135.11 -127.94 4.56 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -117.7 73.44 8.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.817 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.98 5.09 4.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.773 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -32.41 112.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.23 -56.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.834 ' CG ' HD22 ' A' ' 9' ' ' ASN . 66.9 m-20 -130.71 121.88 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.603 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 1.8 mmm-85 -148.05 139.21 23.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.915 ' CG1' HG13 ' A' ' 16' ' ' VAL . 2.4 m -110.27 131.2 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.934 ' O ' HD22 ' A' ' 86' ' ' LEU . 76.1 t -105.54 136.88 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -148.21 -165.42 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.792 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.48 -168.63 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.638 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 6.6 tp10 -89.09 27.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.792 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -112.67 -27.18 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.359 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 13.0 p-10 106.12 22.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.789 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 27.0 mt-30 -98.68 -173.52 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.95 ' HG ' HG11 ' A' ' 16' ' ' VAL . 1.2 tm? -132.93 128.25 36.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.901 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.97 -36.43 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.191 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.918 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 166.21 -142.13 7.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.961 HG12 ' SG ' ' A' ' 103' ' ' CYS . 83.2 t -147.49 89.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.903 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -83.68 165.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.714 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.63 153.73 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.639 ' NE2' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m-70 -78.83 -6.3 55.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -34.19 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.22 37.56 0.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.69 -15.45 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.64 ' HB3' HD22 ' A' ' 99' ' ' ASN . 3.1 t 96.94 41.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.63 -130.75 7.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -95.19 5.46 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.64 HD22 ' HB3' ' A' ' 96' ' ' SER . 0.3 OUTLIER -70.48 158.95 35.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 101' ' ' VAL . 17.1 m-85 -112.52 164.85 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 100' ' ' PHE . 33.8 m -161.64 134.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.364 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -56.52 124.49 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.5 m -54.91 -167.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.545 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.582 ' N ' ' OG ' ' A' ' 12' ' ' SER . 2.3 m-20 -129.72 -9.03 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.758 ' CG ' HG21 ' A' ' 89' ' ' VAL . 85.7 m-85 -132.07 72.05 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.468 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.7 m -83.11 103.71 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 16.8 m -80.88 61.26 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.324 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 -55.63 0.79 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 p -127.32 49.81 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 110.065 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.856 HD22 ' CG ' ' A' ' 76' ' ' ASP . 3.9 m120 -141.93 -175.78 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 1.5 t -176.95 61.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.777 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.5 97.85 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.062 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 3.7 m -61.16 179.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.949 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -16.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 t -82.63 -29.93 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.667 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -83.73 -40.12 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.699 HG11 ' HG ' ' A' ' 86' ' ' LEU . 96.9 t -56.56 -48.5 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.525 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -37.72 -53.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -46.95 -52.2 15.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.605 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.718 ' HG2' HG21 ' A' ' 78' ' ' VAL . 10.9 mt-30 -57.47 -56.2 25.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.47 -35.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.018 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.49 -56.82 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.617 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.52 -42.21 83.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.594 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 5.5 t80 -67.2 -63.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 22.3 tptm -38.94 -61.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.899 HD21 ' HA ' ' A' ' 32' ' ' THR . 3.0 tp -57.44 -36.65 71.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.837 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 62.2 t60 -64.16 -50.54 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.583 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.87 -29.02 64.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -86.34 -15.42 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.73 21.55 78.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.3 mm-40 -97.7 174.37 6.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.382 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.899 ' HA ' HD21 ' A' ' 26' ' ' LEU . 42.3 p -128.08 175.25 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.893 HG13 HD22 ' A' ' 26' ' ' LEU . 1.9 m -130.49 133.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 77.07 -155.47 44.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.41 -15.74 26.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.775 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -78.43 -155.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.49 ' H ' ' HB3' ' A' ' 36' ' ' ASN . 6.2 p -130.78 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.775 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.11 142.75 25.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.819 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -168.24 6.32 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.005 0.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.597 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 33.4 p80 -177.8 163.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.602 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.27 157.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.718 ' HE2' HD12 ' A' ' 90' ' ' ILE . 1.2 t80 -150.24 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.83 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.8 m-20 53.07 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.83 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 5.0 p30 153.64 176.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.806 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.39 -46.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.611 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.8 mm-40 -47.35 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.43 54.12 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.862 ' CE1' HG22 ' A' ' 90' ' ' ILE . 84.9 m-85 -99.45 133.59 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.31 65.72 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -71.15 95.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -72.24 29.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.068 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.827 HG23 ' CE1' ' A' ' 56' ' ' TYR . 18.8 m -121.98 160.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.672 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -91.11 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.817 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -63.42 169.24 4.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.817 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.03 158.54 98.9 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.965 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.827 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.4 m-85 -100.01 117.77 34.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.911 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.2 m-30 -99.31 133.03 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.642 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -102.93 130.4 49.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.938 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 23.9 t-105 -141.09 146.39 43.07 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.611 1.194 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.938 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.98 138.17 22.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.705 ' HB ' HG12 ' A' ' 78' ' ' VAL . 2.7 tt -110.67 116.18 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.859 HD21 ' HD1' ' A' ' 68' ' ' TYR . 65.9 mt -86.72 123.56 32.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.33 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -15.63 58.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 34.69 29.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.36 -178.0 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.018 HG22 ' HB2' ' A' ' 22' ' ' ALA . 29.4 t -103.33 103.0 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.859 ' HD1' HD21 ' A' ' 62' ' ' LEU . 39.3 t80 -43.09 146.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.687 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 32.9 p -99.12 28.11 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.71 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 63.66 156.5 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.465 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 139.13 -120.95 1.99 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.426 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -121.9 71.49 30.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.817 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.89 3.66 5.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -32.09 111.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.48 -57.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.203 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.856 ' CG ' HD22 ' A' ' 9' ' ' ASN . 63.8 m-20 -130.05 121.21 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.641 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 1.7 mmm-85 -146.8 144.9 29.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.102 HG23 HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -112.62 138.28 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.0 t -113.92 129.81 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.1 p90 -143.34 -163.67 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.768 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.29 -166.63 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.597 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 12.5 tt0 -90.5 23.22 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.768 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -109.07 -28.09 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 13.2 p-10 107.34 21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.779 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 32.1 mt-30 -96.83 -172.73 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.102 HD23 HG23 ' A' ' 78' ' ' VAL . 1.5 tm? -133.4 127.31 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.962 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.03 -35.28 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.896 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 165.33 -142.47 7.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.967 HG12 ' SG ' ' A' ' 103' ' ' CYS . 81.0 t -147.39 91.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.862 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -84.0 164.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.697 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -162.94 160.4 24.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.61 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.6 m-70 -85.96 -6.39 59.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -31.89 90.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.4 40.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.871 ' C ' HD22 ' A' ' 99' ' ' ASN . . . -60.41 -39.69 88.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 0.708 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.723 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 13.2 t 136.91 42.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.48 -118.58 4.69 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.437 1.085 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 47.1 t30 -94.73 -7.96 39.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.871 HD22 ' C ' ' A' ' 95' ' ' ALA . 19.9 p-10 -61.42 149.26 39.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.759 ' O ' HG13 ' A' ' 101' ' ' VAL . 16.6 m-85 -105.8 167.5 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.759 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.4 m -163.14 134.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -56.1 124.35 17.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.3 m -56.1 -162.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 108.285 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.075 . . . . 0.0 110.349 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.562 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.491 ' N ' ' OG ' ' A' ' 12' ' ' SER . 9.1 m-20 -118.88 -10.13 9.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.796 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 88.3 m-85 -131.98 81.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.525 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.6 m -93.29 104.19 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -80.48 62.57 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.265 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.76 -53.94 0.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.2 p -130.13 50.92 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 0.823 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.923 HD22 ' CG ' ' A' ' 76' ' ' ASP . 4.1 m120 -141.31 -176.18 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.562 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -176.49 62.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.318 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.801 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.35 97.55 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 0.9 OUTLIER -60.43 176.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.972 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -17.98 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.77 -29.37 32.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.54 -40.42 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.008 ' CG1' HD13 ' A' ' 86' ' ' LEU . 78.1 t -55.7 -51.71 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.461 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 33.9 t -37.1 -52.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.15 -52.88 18.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -58.7 -42.39 88.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HG2' HG21 ' A' ' 78' ' ' VAL . 13.8 mt-30 -57.01 -56.45 21.58 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.9 -37.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.014 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -68.25 -59.6 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.598 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.46 -37.98 68.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.731 ' OH ' ' C ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.56 -64.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptm -37.32 -62.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.028 HD22 HG13 ' A' ' 33' ' ' VAL . 2.0 tp -57.93 -35.72 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.2 t60 -65.89 -50.68 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.62 -26.64 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -16.97 29.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.215 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.94 22.18 72.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.416 1.073 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 7.3 mm-40 -98.24 176.13 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.996 ' HA ' HD21 ' A' ' 26' ' ' LEU . 20.7 p -129.6 168.01 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.028 HG13 HD22 ' A' ' 26' ' ' LEU . 1.3 m -124.15 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.749 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 80.65 -156.76 39.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -92.01 -13.46 30.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.698 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -82.01 -157.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 95.7 p -127.5 51.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.698 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -103.14 142.84 25.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.826 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.027 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.604 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.6 p80 -177.89 168.63 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.491 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.9 tppp? -54.3 156.05 3.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.723 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -149.29 -34.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.818 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.6 m-20 54.3 -99.49 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.818 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 4.4 p30 154.05 173.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 172.74 -46.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.949 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -47.02 -17.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.98 54.09 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.805 ' CE1' HG22 ' A' ' 90' ' ' ILE . 84.8 m-85 -99.16 130.43 45.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.55 63.65 4.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -67.84 93.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -68.31 29.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.691 HG23 ' HE1' ' A' ' 56' ' ' TYR . 6.8 m -127.2 157.67 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.625 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 60.8 m -87.59 141.75 28.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.868 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -65.6 172.01 3.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 159.58 97.78 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.691 ' HE1' HG23 ' A' ' 52' ' ' VAL . 20.7 m-85 -101.49 116.34 32.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.998 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -98.22 142.86 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.712 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.5 pp20? -106.08 142.42 35.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.937 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 34.8 t-105 -156.39 145.52 15.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 108.031 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.937 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 136.25 20.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 76' ' ' ASP . 5.8 tt -109.65 113.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.84 HD21 ' HD1' ' A' ' 68' ' ' TYR . 51.9 mt -85.9 124.59 32.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 p -55.59 -19.01 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -77.72 -17.5 57.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.25 37.88 20.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -112.15 -176.41 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.014 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.7 t -106.11 100.49 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.84 ' HD1' HD21 ' A' ' 62' ' ' LEU . 19.9 t80 -45.02 148.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.749 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 31.7 p -98.28 18.41 16.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.725 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 70.96 155.9 1.87 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.554 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 141.81 -118.44 1.32 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -121.02 67.78 16.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.948 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.812 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 6.14 3.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.784 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -33.61 112.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.62 -60.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.923 ' CG ' HD22 ' A' ' 9' ' ' ASN . 53.8 m-20 -125.96 121.17 32.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.644 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -145.77 144.93 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.858 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.49 138.3 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.415 1.072 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.2 t -114.88 134.36 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.998 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -147.31 -167.16 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.649 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -131.41 -172.15 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.731 ' C ' ' OH ' ' A' ' 24' ' ' TYR . 6.1 tt0 -88.18 13.64 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.71 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -103.81 -22.9 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.71 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 8.3 p-10 103.94 26.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.633 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 32.0 mt-30 -110.03 133.55 53.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.008 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.33 131.69 34.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.9 -39.31 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.619 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 166.03 -142.59 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.991 HG12 ' SG ' ' A' ' 103' ' ' CYS . 90.7 t -143.49 92.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.437 0.728 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.805 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.56 164.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.211 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.713 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -158.04 151.34 23.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.879 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.2 m-70 -77.19 -9.57 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.63 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -32.36 74.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.879 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 65.16 -58.69 0.09 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.032 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . 45.8 7.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 0.808 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.689 ' H ' ' C ' ' A' ' 94' ' ' GLY . 2.2 t 82.79 10.52 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.061 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 162.35 -138.28 5.3 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 11.3 t30 -94.53 -2.95 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.239 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 1.032 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 6.7 p30 -62.51 -169.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.818 ' O ' HG13 ' A' ' 101' ' ' VAL . 50.1 m-85 -129.09 166.39 19.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.818 HG13 ' O ' ' A' ' 100' ' ' PHE . 17.5 m -164.13 134.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -54.2 124.9 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.7 m -53.51 -171.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.646 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.425 ' OD1' ' HA ' ' A' ' 12' ' ' SER . 5.1 m-20 -41.49 -28.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.161 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.3 m-85 -141.33 113.91 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 9' ' ' ASN . 6.9 m -122.6 106.83 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 29.6 m -80.6 68.14 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.16 -48.66 3.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.597 1.186 . . . . 0.0 111.066 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -158.23 49.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.07 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.775 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -123.1 -166.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.2 t -171.96 78.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.879 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.44 53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 5.3 p -28.74 152.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 p -39.28 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.1 t -81.72 -25.69 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.879 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -83.08 -21.59 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.161 HG21 ' CE2' ' A' ' 4' ' ' TYR . 26.9 t -74.52 -71.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.471 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 15.5 t -41.46 -53.33 3.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -48.65 -48.64 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -59.51 -44.57 93.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 1.046 ' OE1' HG12 ' A' ' 16' ' ' VAL . 6.9 mt-30 -62.9 -58.24 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.57 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.069 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.03 -55.9 6.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.581 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.07 -44.34 94.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 4.2 t80 -65.33 -63.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.9 tptp -38.07 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.951 HD21 ' HA ' ' A' ' 32' ' ' THR . 4.8 tp -56.38 -36.77 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.836 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.0 t60 -63.85 -50.29 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.597 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -58.05 -27.77 63.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.05 -15.06 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.65 24.42 76.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 26' ' ' LEU . 12.2 mm-40 -101.86 176.88 5.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.951 ' HA ' HD21 ' A' ' 26' ' ' LEU . 74.8 p -129.03 176.57 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.941 HG13 HD22 ' A' ' 26' ' ' LEU . 2.4 m -130.15 129.98 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.69 -150.8 36.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.71 -10.47 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -80.87 -164.12 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 3.8 p -126.38 46.18 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.8 m-85 -99.21 144.19 27.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.891 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 -171.07 8.88 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.979 -0.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -177.33 157.98 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -46.11 150.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.738 ' HE2' HD12 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -142.67 -34.55 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.81 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.2 m-20 55.68 -96.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.81 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 6.4 p30 152.84 178.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.227 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 173.45 -47.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 7.2 mt-10 -47.29 -17.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.475 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.03 53.65 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.093 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.833 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 92.4 m-85 -96.2 133.05 40.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.32 61.43 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.833 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.1 m-30 -66.79 97.51 0.47 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.152 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.7 p -73.98 25.46 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.902 HG23 ' CE1' ' A' ' 56' ' ' TYR . 27.0 m -116.71 161.23 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.679 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.2 m -89.62 136.24 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.852 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.23 170.39 5.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.971 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.852 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.09 157.75 99.32 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.036 0.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.902 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.5 m-85 -97.89 121.39 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.907 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -101.26 133.09 46.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.601 1.188 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 6.9 pt-20 -100.54 135.85 41.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.4 t-105 -151.0 149.67 25.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 107.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 154.37 42.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.689 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.5 tt -119.29 115.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.758 HD11 ' HA ' ' A' ' 68' ' ' TYR . 89.7 mt -83.41 124.27 30.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.3 p -57.73 -12.14 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -91.89 -11.94 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.99 37.2 33.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -114.08 -174.11 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.069 HG22 ' HB2' ' A' ' 22' ' ' ALA . 50.0 t -100.27 109.53 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.822 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 22.9 t80 -43.85 170.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' C ' ' A' ' 33' ' ' VAL . 48.0 p -95.81 -52.5 4.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.694 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 143.08 151.2 5.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.651 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 94.09 -108.44 3.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.62 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.6 t -102.31 96.8 7.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.036 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.854 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.4 Cg_endo -74.95 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.561 1.822 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 76' ' ' ASP . . . 155.96 45.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.702 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . 68.19 -49.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.694 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.1 m-20 -56.66 128.23 35.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.854 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -151.24 136.53 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.082 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -101.96 130.94 50.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.009 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.1 t -106.76 129.0 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.907 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.4 p90 -143.01 -162.33 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.791 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -135.05 -164.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.568 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.18 21.1 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.247 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.791 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.18 -28.24 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.74 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 14.4 p-10 108.25 19.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.838 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 35.3 mt-30 -95.58 -173.33 2.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.082 ' CD2' HG23 ' A' ' 78' ' ' VAL . 1.5 tm? -136.7 128.12 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.009 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.41 -32.8 64.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.82 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 159.8 -147.24 14.14 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.896 HG12 ' SG ' ' A' ' 103' ' ' CYS . 45.6 t -139.14 92.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.779 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.29 167.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.681 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.98 143.74 12.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.353 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.702 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 5.3 m-70 -73.6 23.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -57.8 82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.09 37.2 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.768 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -69.64 -4.24 18.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.768 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 19.5 t 122.8 29.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 96.71 -93.1 1.44 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.448 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 8.2 t-20 -94.88 16.6 15.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.754 ' ND2' ' HB3' ' A' ' 96' ' ' SER . 4.5 m-20 -84.78 163.49 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.754 ' O ' HG13 ' A' ' 101' ' ' VAL . 25.1 m-85 -126.1 160.27 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 100' ' ' PHE . 24.0 m -162.92 132.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.609 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.47 122.18 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 82.0 m -53.9 -171.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.383 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.761 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.451 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -136.07 -7.99 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.777 ' CB ' HG21 ' A' ' 89' ' ' VAL . 88.3 m-85 -132.48 92.3 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 9' ' ' ASN . 16.2 m -100.45 107.85 19.68 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.135 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.2 m -84.18 65.18 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 -53.19 0.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.458 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -131.37 53.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 0.745 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.764 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.45 -176.01 4.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.761 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.14 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 0.0 108.253 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.717 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.66 100.46 6.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 58.5 p -64.11 179.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.92 -17.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -80.7 -30.6 36.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.717 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.29 -40.11 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.943 HG13 ' CG1' ' A' ' 78' ' ' VAL . 78.8 t -54.74 -51.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 43.6 t -36.21 -54.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.944 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.63 -50.46 24.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.453 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.0 -41.69 97.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.366 1.041 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 6.9 mt-30 -60.26 -59.43 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.95 -39.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.922 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -69.18 -57.12 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 27' ' ' HIS . . . -55.79 -47.94 75.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.672 ' CE2' ' OE1' ' A' ' 28' ' ' GLU . 6.4 t80 -53.74 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.5 tptp -41.44 -65.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.945 HD23 ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -55.53 -28.7 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.877 ' CD2' ' CD2' ' A' ' 57' ' ' TYR . 73.8 t60 -73.04 -52.86 12.79 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.672 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -55.34 -26.32 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.27 -13.14 55.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.13 21.28 79.25 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.616 ' HB2' HD12 ' A' ' 26' ' ' LEU . 69.0 mm-40 -106.56 169.44 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.607 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -131.54 157.78 42.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.874 ' HB ' ' C ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -72.61 122.57 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.642 ' O ' ' CB ' ' A' ' 35' ' ' SER . . . -46.41 104.36 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.424 1.077 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.849 ' HB2' ' CA ' ' A' ' 70' ' ' GLY . 2.7 m 147.64 -29.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.783 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.775 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 2.8 m-20 -152.4 -162.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.503 ' C ' ' CG2' ' A' ' 32' ' ' THR . 19.1 p -112.61 35.29 3.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.699 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.6 OUTLIER -97.78 144.92 28.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.945 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.89 -169.33 7.21 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.004 -0.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.584 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.0 p80 178.96 165.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 2.9 ttpm? -49.1 168.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.749 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 19.1 t80 -154.72 13.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.8 m120 -10.49 87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.791 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 5.1 p30 -47.47 168.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 178.73 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -45.87 -20.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.24 55.82 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.726 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 82.5 m-85 -100.89 133.08 45.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.37 71.23 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -79.28 104.96 10.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -75.5 26.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.547 ' H ' ' C ' ' A' ' 50' ' ' PHE . 16.3 m -124.12 161.92 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.731 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 75.1 m -88.52 153.37 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.864 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -83.27 171.29 11.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.075 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.864 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.95 159.65 97.69 Favored 'Cis proline' 0 C--N 1.359 1.083 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.956 0.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.658 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 23.2 m-85 -97.4 133.79 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.877 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 11.6 m-30 -113.19 130.18 56.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.606 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.6 pp20? -97.28 142.53 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 21.8 t-105 -155.53 149.11 18.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.0 148.75 35.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.73 HG13 ' HB2' ' A' ' 19' ' ' ALA . 7.2 tt -118.69 113.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 64' ' ' SER . 86.9 mt -83.51 116.51 22.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.6 p -54.42 -14.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -84.11 -14.62 49.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 33.44 25.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -108.87 -172.42 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.769 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 22' ' ' ALA . 32.7 t -114.6 114.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.766 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 5.1 t80 -40.02 164.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.874 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 27.4 p -114.56 -9.03 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.849 ' CA ' ' HB2' ' A' ' 35' ' ' SER . . . 121.19 178.96 16.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.794 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 72.43 -145.3 37.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.706 ' C ' ' OH ' ' A' ' 68' ' ' TYR . 28.8 m -89.8 106.52 14.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.953 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.09 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.577 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 119.3 -101.92 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.801 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -140.7 -43.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 0.818 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.715 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 5.0 m-20 -61.53 132.48 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.715 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 10.0 mmt-85 -153.25 146.97 25.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.943 ' CG1' HG13 ' A' ' 16' ' ' VAL . 5.1 m -113.83 135.35 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.881 ' O ' ' N ' ' A' ' 87' ' ' ALA . 70.6 t -111.58 137.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.851 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 5.8 p90 -145.81 -153.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.741 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -141.31 -163.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.598 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.26 17.06 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.741 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -104.8 -29.84 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.735 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 16.4 p-10 110.5 19.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.851 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 39.1 mt-30 -94.28 -176.64 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.241 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.069 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.42 127.0 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.881 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.22 -41.72 66.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.04 -135.17 3.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.839 HG12 ' SG ' ' A' ' 103' ' ' CYS . 47.0 t -150.75 92.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.796 HD13 ' CG2' ' A' ' 79' ' ' VAL . 2.0 pt -87.15 166.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.801 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.13 150.69 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.666 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.7 m170 -75.54 11.88 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -46.88 89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.96 42.4 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.65 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.22 -11.18 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 0.72 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.677 ' C ' HD22 ' A' ' 99' ' ' ASN . 3.6 t 98.18 47.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.87 -131.63 8.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.415 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 26.5 t30 -95.21 7.78 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.677 HD22 ' C ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -70.35 161.35 30.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.741 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.1 m-85 -114.27 167.01 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.0 m -162.86 133.9 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -55.37 125.29 20.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.135 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 99.5 m -55.34 -168.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.378 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.73 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -137.57 -3.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.689 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 83.5 m-85 -137.32 91.5 2.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 9' ' ' ASN . 6.3 m -101.13 106.8 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 6.3 m -83.13 66.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.06 -52.34 0.56 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.438 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -132.22 52.76 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.796 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.87 -176.83 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.73 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -177.21 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.689 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.26 100.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.482 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 28.6 p -64.04 178.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -50.77 -17.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.043 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.0 t -81.09 -30.01 34.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -83.9 -39.45 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.724 HG11 ' HG ' ' A' ' 86' ' ' LEU . 92.0 t -58.74 -49.55 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.518 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 7.6 t -35.91 -52.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.965 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -51.93 31.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.579 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.83 -41.73 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.641 ' HG2' HG21 ' A' ' 78' ' ' VAL . 11.0 mt-30 -57.49 -54.68 44.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -35.57 -39.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.646 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.7 -49.4 21.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.578 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.17 -41.99 54.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -76.38 -66.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -37.19 -56.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.964 ' CD2' HG13 ' A' ' 33' ' ' VAL . 11.5 tp -62.59 -36.98 84.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 25.9 t60 -64.17 -45.33 88.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.523 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.65 -24.29 66.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 10.8 m-20 -83.91 -22.83 31.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.85 22.32 69.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.947 ' C ' HD11 ' A' ' 26' ' ' LEU . 5.2 mm-40 -101.2 175.16 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.523 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.7 p -126.59 -177.87 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.964 HG13 ' CD2' ' A' ' 26' ' ' LEU . 13.8 m -136.4 127.93 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.598 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 76.18 -144.45 30.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -97.03 -14.69 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.606 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -75.39 -165.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -125.4 43.24 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.056 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -97.84 147.34 32.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.63 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -169.91 7.79 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.987 -0.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.647 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.4 p80 177.94 162.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.622 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -47.44 163.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.861 ' CE2' HD12 ' A' ' 90' ' ' ILE . 2.3 t80 -154.84 -40.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.821 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 1.8 m-80 61.19 -95.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.821 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 6.9 p30 153.82 171.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.788 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.94 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.722 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.13 -19.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.76 52.95 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.6 m-85 -95.58 133.87 39.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.89 57.22 2.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.833 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -60.6 93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -71.62 24.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.907 HG23 ' CE1' ' A' ' 56' ' ' TYR . 22.3 m -114.75 160.95 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.694 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -89.31 139.32 30.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.822 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.6 p -68.93 169.62 10.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.822 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.98 159.53 97.88 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.037 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.907 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.3 m-85 -99.8 121.63 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.892 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.0 m-30 -100.54 130.98 46.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.729 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.6 pt-20 -99.76 132.32 45.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.004 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 39.1 t-105 -145.4 145.93 28.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.004 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.94 149.49 37.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.411 1.742 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.75 ' HB ' HG12 ' A' ' 78' ' ' VAL . 6.6 tt -117.77 118.8 59.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' A' ' 68' ' ' TYR . 88.6 mt -87.65 119.34 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -59.55 -9.83 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.21 -19.38 28.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.04 35.35 9.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.89 -172.57 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 22' ' ' ALA . 26.7 t -109.8 111.01 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.895 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 16.1 t80 -40.16 146.26 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.542 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 57.0 p -157.84 66.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.626 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -166.18 -143.54 3.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.687 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.7 -33.51 0.65 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 74' ' ' GLY . 13.0 p -116.22 82.93 12.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.039 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.645 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 43.66 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 72.28 -102.04 1.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.098 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.579 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -150.18 -36.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.646 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 4.4 m-20 -60.64 129.64 42.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.646 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 6.2 mmt-85 -147.96 143.31 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.017 HG23 HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -109.67 141.13 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.7 t -118.37 134.66 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.385 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.892 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -147.07 -161.09 1.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.744 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.81 -162.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.499 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.6 17.5 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.744 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -103.91 -30.77 10.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.734 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 15.6 p-10 109.85 20.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.758 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 35.3 mt-30 -92.48 -171.8 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.017 HD23 HG23 ' A' ' 78' ' ' VAL . 2.0 tm? -133.42 125.88 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.25 -31.84 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.769 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 157.52 -149.44 20.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.77 HG12 ' SG ' ' A' ' 103' ' ' CYS . 8.8 t -139.92 95.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.868 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -93.5 161.33 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.762 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -146.35 142.41 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.632 ' HA ' ' O ' ' A' ' 99' ' ' ASN . 7.3 m170 -60.81 17.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.762 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.2 m -85.54 172.62 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.45 63.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 99' ' ' ASN . . . -137.59 67.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.7 t -56.36 -13.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . -113.41 -87.15 1.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 1.299 ' O ' ' N ' ' A' ' 100' ' ' PHE . 31.5 t-20 -91.27 81.05 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.732 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 3.2 m-20 -26.34 52.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 1.299 ' N ' ' O ' ' A' ' 98' ' ' ASN . 16.8 m-85 -153.96 144.58 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.017 HG13 ' O ' ' A' ' 100' ' ' PHE . 3.7 m -169.82 130.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -47.03 112.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.5 m -53.99 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 5' ' ' THR . 67.0 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.404 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.988 ' N ' ' HG ' ' A' ' 12' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.89 -34.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.105 ' CE2' HG21 ' A' ' 16' ' ' VAL . 73.4 m-85 -121.23 127.33 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.837 HG23 ' O ' ' A' ' 9' ' ' ASN . 1.9 m -120.07 110.79 17.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.722 ' H ' ' HB2' ' A' ' 9' ' ' ASN . 21.1 m -85.79 62.86 7.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.2 -54.84 1.48 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 79.8 p -127.89 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.837 ' O ' HG23 ' A' ' 5' ' ' THR . 0.3 OUTLIER -144.96 -177.45 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -179.09 77.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 108.271 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CZ ' ' CB ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -94.25 126.73 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.988 ' HG ' ' N ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -73.79 158.73 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.0 p -43.27 -22.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.49 ' N ' ' C ' ' A' ' 12' ' ' SER . 32.4 t -80.17 -22.38 42.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.723 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -81.92 -22.95 36.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.105 HG21 ' CE2' ' A' ' 4' ' ' TYR . 19.2 t -75.04 -71.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.48 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -39.81 -55.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -46.64 11.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.616 ' CB ' HG21 ' A' ' 78' ' ' VAL . . . -61.94 -44.12 97.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.747 ' OE1' HG12 ' A' ' 16' ' ' VAL . 9.8 mt-30 -59.85 -58.14 9.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.35 -38.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.049 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.97 -50.82 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.649 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -54.2 -42.2 72.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.405 1.066 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -77.77 -63.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 111.041 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.8 tptp -34.71 -62.31 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.875 HD23 ' CD ' ' A' ' 39' ' ' PRO . 5.1 tp -58.65 -39.03 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.827 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 47.3 t60 -61.87 -48.46 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -61.26 -26.35 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.21 -19.06 27.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.24 23.63 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 22.6 mm-40 -99.52 171.53 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 0.806 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.726 ' CA ' HD21 ' A' ' 26' ' ' LEU . 71.3 p -124.11 -179.06 4.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.847 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.8 m -141.72 128.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.497 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 82.64 -147.93 25.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -96.61 -14.72 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.475 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -80.76 -164.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -123.78 44.19 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.2 m-30 -94.63 147.4 33.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.875 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -170.93 8.73 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.929 0.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 28.9 p80 179.23 169.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.662 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -52.14 159.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.789 ' HE2' HD12 ' A' ' 90' ' ' ILE . 1.4 t80 -154.29 -38.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.827 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.6 m-20 58.27 -95.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 7.1 p30 153.33 168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -177.06 -49.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.87 -19.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.08 54.25 0.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.894 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.6 m-85 -95.29 134.31 38.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 12.3 m-30 -64.0 93.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -73.01 24.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.786 HG23 ' CE1' ' A' ' 56' ' ' TYR . 18.4 m -116.16 160.9 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.667 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 t -89.24 138.91 31.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.857 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.53 171.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.857 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.04 159.17 98.36 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.987 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.786 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.4 m-85 -99.93 117.17 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.1 m-30 -98.98 135.07 40.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.603 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.3 pp20? -99.22 144.84 27.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.986 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 35.7 t-105 -160.97 147.03 11.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.986 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.09 156.22 42.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.428 1.752 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.707 HD12 HG11 ' A' ' 78' ' ' VAL . 18.7 tt -119.67 126.26 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 68' ' ' TYR . 65.6 mt -90.31 123.51 34.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -60.44 -7.95 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -96.63 -7.42 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.48 ' C ' HD12 ' A' ' 62' ' ' LEU . 2.6 m-20 -113.84 -164.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.049 HG22 ' HB2' ' A' ' 22' ' ' ALA . 24.0 t -110.61 123.69 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.029 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -73.69 139.54 45.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.0 p -111.36 -81.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.402 1.064 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . . . -33.26 150.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.497 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.12 -15.23 60.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -109.8 95.28 19.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.597 0.822 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 1.071 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -86.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 76' ' ' ASP . . . 173.5 60.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.56 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . 56.66 -51.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.836 ' N ' ' O ' ' A' ' 74' ' ' GLY . 5.2 m-20 -56.15 126.4 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 1.071 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -148.78 139.78 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.93 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -107.91 134.18 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -108.2 140.61 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.997 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 8.6 p90 -151.09 -164.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.773 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -134.31 -168.4 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.3 tt0 -89.56 18.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.773 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -103.42 -26.04 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 11.8 p-10 107.26 20.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.997 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 29.9 mt-30 -99.95 -178.08 3.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.044 HD13 HG13 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -131.31 131.11 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.868 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.03 -34.46 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.441 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 160.82 -152.48 23.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.15 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.953 HG12 ' SG ' ' A' ' 103' ' ' CYS . 50.1 t -132.52 92.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.894 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -84.48 163.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.793 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -154.95 141.66 18.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 99' ' ' ASN . 10.0 m170 -58.26 27.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.793 ' H ' ' C ' ' A' ' 91' ' ' THR . 2.9 m -92.29 168.94 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.52 63.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.786 ' HB3' ' HA ' ' A' ' 99' ' ' ASN . . . -135.08 68.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -56.88 -12.9 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.058 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -114.8 -85.43 1.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 1.284 ' O ' ' N ' ' A' ' 100' ' ' PHE . 27.0 t-20 -91.55 81.06 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.786 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 4.0 m-20 -26.68 52.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 1.284 ' N ' ' O ' ' A' ' 98' ' ' ASN . 15.9 m-85 -153.02 142.64 21.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 100' ' ' PHE . 3.6 m -168.53 130.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -47.88 112.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.953 ' SG ' HG12 ' A' ' 89' ' ' VAL . 62.8 m -53.37 -170.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.53 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -38.03 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.244 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.0 m-85 -137.96 114.25 10.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.689 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -123.82 107.2 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.0 m -82.42 64.96 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.15 -53.28 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 111.084 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -149.19 48.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.765 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.54 -168.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 43.6 t -172.05 74.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 108.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.874 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.0 m-85 -87.08 47.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -26.65 151.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 53.7 p -38.87 -23.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.058 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -81.93 -25.57 34.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.085 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.874 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.95 -22.3 29.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.244 HG21 ' CE2' ' A' ' 4' ' ' TYR . 39.5 t -75.07 -71.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.8 t -37.2 -50.74 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -47.72 -51.11 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -63.02 -42.41 99.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.184 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.869 ' OE1' HG12 ' A' ' 16' ' ' VAL . 4.9 mt-30 -58.96 -58.43 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.04 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.052 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -80.0 -50.14 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.68 -43.16 99.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -72.69 -62.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 0.82 . . . . 0.0 111.038 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 18.9 tptm -36.58 -61.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.894 HD22 ' CG1' ' A' ' 33' ' ' VAL . 2.6 tp -58.28 -37.34 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 60.5 t60 -64.23 -49.16 73.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.587 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.51 -25.74 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.57 -18.27 26.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.32 23.71 67.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HB2' HD12 ' A' ' 26' ' ' LEU . 15.0 mm-40 -99.02 173.76 6.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.808 ' HA ' HD21 ' A' ' 26' ' ' LEU . 82.6 p -124.31 -179.6 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.894 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.4 m -141.78 131.0 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.54 -154.51 38.34 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t -96.21 17.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.7 m-20 -113.71 -166.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.9 p -120.76 41.71 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.943 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.3 m-30 -93.97 147.78 34.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.078 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.86 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.05 -169.34 7.27 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.961 0.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.572 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 176.65 167.64 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.543 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -49.08 163.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.776 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 12.2 t80 -152.02 12.36 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.693 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -8.92 84.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.758 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 8.6 p30 -50.73 168.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.758 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.18 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 111.061 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.51 -20.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.504 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.39 55.46 0.36 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.802 ' CE1' HG22 ' A' ' 90' ' ' ILE . 83.2 m-85 -99.55 130.22 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.33 59.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 21.8 m-30 -58.78 113.23 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -61.42 0.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 1.082 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.71 HG22 ' CB ' ' A' ' 87' ' ' ALA . 15.6 m -111.47 151.19 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.228 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 36.1 t -86.97 172.25 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.766 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 17.4 p -79.82 164.08 55.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.773 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.05 172.97 60.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.932 0.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.8 m-30 -116.75 126.84 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.999 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.6 m-30 -112.72 118.25 34.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -78.63 137.73 37.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.893 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 51.0 t-105 -158.2 144.17 12.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.976 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 146.67 33.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.832 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 12.5 tt -112.84 120.86 63.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.811 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 41.7 mt -84.63 124.06 31.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 0.62 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -104.13 -7.14 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.62 38.91 42.36 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.524 1.14 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.617 ' HB2' HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -114.39 -161.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.257 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.052 HG22 ' HB2' ' A' ' 22' ' ' ALA . 13.1 t -117.21 120.5 65.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.976 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -71.01 108.36 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.524 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 3.7 p -108.22 37.11 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.58 156.27 26.17 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.489 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -77.37 -16.06 80.83 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -114.99 81.85 8.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.874 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -45.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 144.24 -118.59 1.18 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.694 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -117.67 -45.9 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.605 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 m-20 -60.87 126.61 28.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.74 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.94 144.99 29.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.863 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -109.8 157.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.33 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 73.0 t -137.9 89.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.999 ' O ' ' N ' ' A' ' 57' ' ' TYR . 15.8 p90 -100.2 -160.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.228 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -134.7 -165.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.685 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 11.3 tt0 -90.84 13.91 15.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -104.9 -22.45 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 8.5 p-10 105.87 20.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.619 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 28.3 mt-30 -105.89 115.69 30.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.049 HD13 HG13 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -99.01 146.25 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.01 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -154.5 -34.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 1.33 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -60.48 51.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.137 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -78.88 34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.914 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.83 175.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.731 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.95 154.12 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.0 m170 -85.31 4.13 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.662 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.41 -20.86 31.17 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.831 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -123.69 36.07 3.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.699 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -131.15 -44.36 1.03 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 0.793 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t 76.29 55.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 147.6 -134.77 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.534 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 20.0 t-20 -93.51 -9.81 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.699 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -65.81 159.06 26.15 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.914 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.0 m-85 -122.3 164.02 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.831 HG21 ' O ' ' A' ' 94' ' ' GLY . 34.5 m -162.3 125.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 103' ' ' CYS . 2.0 pt-20 -52.6 123.14 10.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 98.9 m -50.72 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 108.258 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.542 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.17 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.262 ' CE2' HG21 ' A' ' 16' ' ' VAL . 97.0 m-85 -138.44 110.9 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.895 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.45 105.94 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.111 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.4 m -80.92 61.74 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.67 -46.18 3.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.7 p -155.19 47.03 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 0.0 110.047 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.741 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -124.78 -167.83 1.73 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 45.6 t -171.96 75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.849 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.9 m-85 -88.85 49.51 1.8 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.807 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -28.39 152.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.5 p -38.91 -22.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' SER . 22.2 t -82.45 -25.6 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.849 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.29 -20.82 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.262 HG21 ' CE2' ' A' ' 4' ' ' TYR . 36.2 t -74.89 -70.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.6 t -36.6 -44.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.069 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -54.34 30.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.83 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.5 -43.24 97.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.895 ' OE1' HG12 ' A' ' 16' ' ' VAL . 5.1 mt-30 -58.53 -58.02 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -31.93 -37.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.057 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -79.78 -53.83 6.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -57.57 -43.96 94.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.663 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 3.0 t80 -68.78 -65.62 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 0.786 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.9 tptm -45.27 -53.73 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.955 HD21 HG13 ' A' ' 33' ' ' VAL . 56.7 tp -61.56 -33.46 73.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.888 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 59.6 t60 -67.7 -49.71 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.551 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.609 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.37 -23.5 64.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-20 -84.65 -22.09 30.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.43 77.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.674 ' HB2' HD12 ' A' ' 26' ' ' LEU . 39.3 mm-40 -97.89 175.07 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 42.3 p -129.31 178.05 6.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.955 HG13 HD21 ' A' ' 26' ' ' LEU . 4.2 m -136.38 128.01 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.559 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.65 -152.44 37.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.581 1.175 . . . . 0.0 111.044 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -96.41 18.34 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.546 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -108.07 -167.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.9 p -122.84 38.3 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.4 m-85 -94.7 144.57 28.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.814 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 -174.44 14.14 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.917 -2.535 . . . . 0.0 111.02 -0.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.613 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 174.16 165.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.09 165.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.843 ' CD1' HG11 ' A' ' 79' ' ' VAL . 22.4 t80 -149.99 12.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.703 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.0 m120 -6.56 84.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.776 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 8.1 p30 -55.61 172.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.776 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.02 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.082 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.09 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.42 57.66 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.568 1.167 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.752 ' CE1' HG22 ' A' ' 90' ' ' ILE . 74.1 m-85 -102.7 130.6 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 59.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -57.73 115.35 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -61.4 1.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.725 HG22 ' CB ' ' A' ' 87' ' ' ALA . 14.0 m -114.29 149.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.172 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 8.4 t -88.36 168.6 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.823 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 76.1 p -72.33 163.37 67.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.823 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.94 173.0 60.1 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.042 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.633 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -118.47 124.84 48.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.985 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.9 m-30 -111.52 116.14 30.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.621 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 4.7 pt-20 -79.08 140.1 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.006 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 50.7 t-105 -161.5 146.61 10.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.187 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.027 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 143.57 28.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.835 ' HB ' HG12 ' A' ' 78' ' ' VAL . 12.7 tt -110.44 122.36 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.797 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 28.5 mt -88.35 120.9 30.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -63.21 -4.62 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -98.94 -5.73 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.02 37.66 56.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.656 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -111.95 -162.54 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.057 HG22 ' HB2' ' A' ' 22' ' ' ALA . 19.4 t -119.12 120.74 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.027 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 1.4 m-85 -71.32 103.15 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.585 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 92.1 p -101.62 37.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.08 161.24 28.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.559 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -82.03 -11.97 81.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.4 t -115.46 76.57 5.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.875 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.95 -39.93 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.688 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 144.51 -110.69 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.625 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -129.52 -41.46 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.589 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.08 129.84 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.817 ' O ' ' O ' ' A' ' 88' ' ' GLY . 21.5 mmt-85 -147.26 144.76 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.861 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 1.3 m -106.98 158.14 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.354 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 75.5 t -139.52 79.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.985 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -90.89 -163.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.172 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -131.51 -166.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.672 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -90.55 16.64 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.728 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -107.06 -24.34 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.728 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 11.5 p-10 108.43 20.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.629 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 46.8 mt-30 -107.19 119.01 38.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.063 HD21 HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -99.12 144.75 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.909 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -151.89 -35.85 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 1.354 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -62.16 52.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.12 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.9 t -80.94 33.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 0.79 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.91 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -65.21 175.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.727 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.79 152.9 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.0 m170 -75.19 10.45 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.26 89.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.21 42.84 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.646 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -61.33 -7.56 3.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.731 ' C ' HD22 ' A' ' 99' ' ' ASN . 4.2 t 99.66 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.97 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.83 -131.29 8.85 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 27.6 t30 -95.9 9.09 41.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.731 HD22 ' C ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -69.45 165.79 20.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.91 ' CD1' HG13 ' A' ' 90' ' ' ILE . 16.7 m-85 -118.92 165.23 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.714 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.9 m -162.56 126.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.708 ' C ' ' H ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -49.89 131.91 22.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.12 ' HB2' ' CG1' ' A' ' 89' ' ' VAL . 56.9 m -60.1 5.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.856 HG23 ' C ' ' A' ' 103' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.6 m-20 -37.47 -30.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.244 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.2 m-85 -138.31 114.53 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.726 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -124.73 107.22 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -82.33 64.65 7.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 108.306 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.8 -55.04 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.3 p -146.28 48.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -125.05 -169.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.0 t -172.17 74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.249 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.852 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.4 m-85 -87.39 47.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -27.26 152.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.6 p -39.39 -22.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.1 t -83.13 -24.76 32.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.852 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.96 -21.84 27.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.244 HG21 ' CE2' ' A' ' 4' ' ' TYR . 42.8 t -74.61 -71.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 21.0 t -36.87 -46.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.55 -53.17 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.34 -42.96 99.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.914 ' OE1' HG12 ' A' ' 16' ' ' VAL . 5.1 mt-30 -59.35 -58.9 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -32.96 -36.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.015 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.03 -55.1 6.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -59.49 -42.78 97.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.15 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.649 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.3 t80 -67.04 -61.24 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -41.48 -61.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.019 HD22 HG13 ' A' ' 33' ' ' VAL . 3.1 tp -57.27 -33.13 67.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 57.7 t60 -67.84 -51.78 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.541 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.624 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.4 -25.12 61.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 -18.47 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.73 24.25 70.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 26' ' ' LEU . 65.3 mm-40 -97.87 177.5 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.353 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.915 ' HA ' HD21 ' A' ' 26' ' ' LEU . 63.8 p -127.25 176.83 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.364 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.019 HG13 HD22 ' A' ' 26' ' ' LEU . 2.9 m -138.11 132.65 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.517 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.94 -148.88 30.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.448 1.093 . . . . 0.0 111.054 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.11 -8.58 29.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -87.77 -164.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -123.44 45.29 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.8 m-85 -94.09 147.85 34.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.916 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 -169.98 7.85 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.042 -2.483 . . . . 0.0 110.931 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.641 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 24.5 p80 -179.53 168.37 1.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 19.7 ttpt -54.17 158.82 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.721 ' CD1' HG11 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -155.2 -38.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 110.979 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.85 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 3.5 m-80 57.85 -97.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.85 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.4 p-10 150.63 170.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -175.97 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 29.5 mt-10 -45.92 -16.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 108.26 54.48 0.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.57 1.169 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.877 ' CE1' HG22 ' A' ' 90' ' ' ILE . 93.4 m-85 -94.2 131.92 39.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.95 56.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.704 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 17.3 m-30 -55.69 102.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.41 0.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.743 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.9 m -108.59 151.26 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.277 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 14.9 m -85.76 170.03 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.777 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 11.3 p -77.0 164.63 57.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.804 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.07 174.19 54.0 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.986 0.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.7 m-30 -118.41 112.48 20.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.029 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -100.74 123.06 44.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.641 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.6 pp20? -83.75 136.45 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.889 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 40.7 t-105 -157.44 145.98 14.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 108.01 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.015 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.9 ' HB ' HG12 ' A' ' 78' ' ' VAL . 9.3 tt -110.43 122.7 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.824 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 30.6 mt -90.1 119.97 30.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -4.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -100.2 -3.63 31.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.86 38.98 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.684 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -111.26 -163.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.015 HG22 ' HB2' ' A' ' 22' ' ' ALA . 17.0 t -118.45 119.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.015 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -72.34 128.93 37.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.551 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 p -155.39 65.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.4 -7.52 0.15 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.517 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 84.43 -27.07 4.8 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.67 82.25 6.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.987 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.975 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.542 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 143.67 -120.69 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.648 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -114.26 -44.91 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.612 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.5 m-20 -61.92 128.88 38.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.905 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.98 150.95 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.9 HG12 ' HB ' ' A' ' 61' ' ' ILE . 2.0 m -113.2 157.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.231 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 80.5 t -140.01 83.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 1.029 ' O ' ' N ' ' A' ' 57' ' ' TYR . 11.5 p90 -94.23 -166.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.277 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -129.68 -166.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.66 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.3 tt0 -89.22 18.67 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.733 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -109.85 -25.48 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.733 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 13.9 p-10 109.32 20.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.727 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 45.8 mt-30 -104.66 118.51 36.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.13 ' CD1' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -100.7 133.17 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.89 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -143.53 -16.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 1.231 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -74.37 45.69 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.179 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.6 t -76.05 33.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.893 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -67.16 174.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.669 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.54 154.6 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.648 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 11.6 m170 -75.6 10.82 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.41 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.85 42.37 0.05 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.653 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -62.13 -6.51 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.731 ' C ' HD22 ' A' ' 99' ' ' ASN . 4.4 t 99.63 47.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.046 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.58 -131.46 8.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 25.8 t30 -96.61 10.73 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.731 HD22 ' C ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -70.54 168.08 17.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.893 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.7 m-85 -120.49 164.93 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.698 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.0 m -162.25 124.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.495 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 2.2 pt-20 -52.12 122.52 8.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -49.93 179.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.529 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.2 m-20 -38.36 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.276 ' CE2' HG21 ' A' ' 16' ' ' VAL . 92.2 m-85 -139.56 113.28 8.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.127 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.55 105.58 10.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.075 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.7 m -79.2 62.58 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 108.264 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.22 -49.04 4.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -151.98 49.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.74 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -126.53 -167.5 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 40.1 t -172.91 75.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.819 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.1 m-85 -88.06 50.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -27.9 151.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 55.1 p -38.86 -22.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' SER . 32.0 t -82.62 -25.3 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.819 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -86.3 -18.54 31.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.276 HG21 ' CE2' ' A' ' 4' ' ' TYR . 55.4 t -80.72 -70.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.4 t -37.87 -45.9 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -55.22 18.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.433 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.516 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.86 -44.0 94.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 1.064 ' OE1' ' HB3' ' A' ' 80' ' ' PHE . 2.4 mt-30 -58.28 -56.1 26.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -34.28 -30.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.058 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -87.25 -49.32 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.99 -44.97 96.59 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -70.56 -61.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 10.6 tptt -37.96 -60.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.93 HD22 ' CG1' ' A' ' 33' ' ' VAL . 2.2 tp -58.52 -35.89 72.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 67.7 t60 -66.02 -50.62 63.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.98 -26.98 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 110.388 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.48 -16.6 32.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.72 71.9 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 66.3 mm-40 -98.74 173.62 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 0.72 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.882 ' HA ' HD21 ' A' ' 26' ' ' LEU . 20.8 p -127.09 176.76 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.93 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.3 m -129.38 128.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.34 -149.49 32.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -93.98 -16.66 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -77.26 -164.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' PRO . 19.5 p -125.21 47.28 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.7 m-85 -100.46 143.43 26.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.838 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -167.29 5.53 Favored 'Cis proline' 0 C--N 1.358 1.069 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 30.2 p80 176.57 172.45 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.506 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 2.0 tppm? -52.49 161.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.912 ' CD1' HG11 ' A' ' 79' ' ' VAL . 5.7 t80 -152.81 10.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -10.86 87.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.746 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 8.4 p30 -47.72 169.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.746 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.2 -43.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.59 -20.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.9 55.54 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.757 ' CE1' HG22 ' A' ' 90' ' ' ILE . 79.7 m-85 -101.27 131.71 47.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.27 60.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.648 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 18.3 m-30 -58.9 107.77 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -61.98 3.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.797 HG23 HD22 ' A' ' 81' ' ' ASN . 10.0 m -110.47 154.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.36 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 35.1 m -86.57 172.85 9.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.848 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -91.83 169.79 10.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.59 1.182 . . . . 0.0 110.039 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.848 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.96 156.51 99.91 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.98 -0.03 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.641 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.2 m-85 -96.54 132.95 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.896 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.1 m-30 -114.55 118.03 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.649 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -81.79 142.67 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.99 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.4 t-105 -162.8 145.82 8.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.99 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.11 141.22 26.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.087 HD12 HG11 ' A' ' 78' ' ' VAL . 9.5 tt -110.55 115.29 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 68' ' ' TYR . 73.1 mt -87.04 122.51 30.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 p -58.72 -13.4 5.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.21 -12.55 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.25 39.32 31.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.0 -173.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.058 HG22 ' HB2' ' A' ' 22' ' ' ALA . 44.4 t -108.38 108.12 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.776 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 20.6 t80 -44.44 167.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.703 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.1 p -98.04 -43.16 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.705 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 131.98 149.9 6.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.595 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 99.47 -105.85 3.1 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.715 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 50.5 p -107.45 91.13 6.63 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.554 0.797 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.776 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 -26.22 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.791 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.57 -107.5 0.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.596 1.185 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -135.78 -45.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -63.91 127.34 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.791 HH12 ' N ' ' A' ' 74' ' ' GLY . 13.4 mmt-85 -143.66 145.48 32.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.087 HG11 HD12 ' A' ' 61' ' ' ILE . 28.7 m -113.8 147.32 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.408 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.4 t -131.91 91.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 1.064 ' HB3' ' OE1' ' A' ' 20' ' ' GLN . 14.6 p90 -99.64 -158.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.36 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -136.0 -161.87 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -92.89 11.86 25.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.328 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.723 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -102.73 -23.45 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.5 p-10 104.77 20.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 26.1 mt-30 -105.85 124.54 49.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.093 HD13 HG13 ' A' ' 16' ' ' VAL . 1.1 tt -92.57 153.21 19.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.707 ' CB ' HG22 ' A' ' 52' ' ' VAL . . . -160.58 -37.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 1.408 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -70.65 49.72 0.82 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.2 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -80.25 31.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.931 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -63.04 178.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.681 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -163.38 152.79 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.673 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . 11.2 m170 -75.49 5.01 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -43.09 87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.39 39.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.936 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -70.24 79.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.433 ' CB ' HD22 ' A' ' 99' ' ' ASN . 1.7 t 44.95 18.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . 126.26 -112.44 1.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.443 ' OD1' ' CE1' ' A' ' 92' ' ' HIS . 15.9 t30 -96.9 1.8 50.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.936 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -61.94 164.7 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.931 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.1 m-85 -112.55 156.55 22.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 34.4 m -159.59 126.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.49 ' C ' ' N ' ' A' ' 104' ' ' THR . 0.1 OUTLIER -46.37 125.37 6.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.127 ' O ' ' O ' ' A' ' 5' ' ' THR . 52.6 m -55.49 -10.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.929 ' OG1' ' O ' ' A' ' 103' ' ' CYS . 18.3 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.517 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -39.97 -28.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.19 ' CE2' HG21 ' A' ' 16' ' ' VAL . 90.7 m-85 -139.48 112.27 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.714 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.2 m -123.76 105.84 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.4 m -81.03 65.34 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.11 -56.21 4.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.7 p -146.46 48.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 0.794 . . . . 0.0 110.069 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.45 -168.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 44.9 t -172.22 75.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 108.291 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.87 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-85 -88.32 48.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 15' ' ' ASP . 82.8 p -28.12 152.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.009 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.7 p -39.34 -22.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.9 t -82.68 -24.85 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.87 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.51 -22.88 30.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.19 HG21 ' CE2' ' A' ' 4' ' ' TYR . 50.0 t -75.58 -71.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.1 t -36.06 -45.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -53.27 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.761 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.67 -42.64 99.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.801 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.2 mt-30 -56.42 -58.13 9.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.25 -35.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -83.57 -44.23 14.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.656 ' O ' ' HG3' ' A' ' 39' ' ' PRO . . . -61.89 -44.39 97.91 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -73.51 -62.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.804 . . . . 0.0 111.027 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.2 tptp -37.97 -60.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.033 HD23 ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -59.73 -35.03 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.855 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.4 t60 -65.85 -50.88 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.86 -26.71 59.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.37 -18.5 29.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.81 24.04 75.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.626 ' HB2' HD12 ' A' ' 26' ' ' LEU . 7.4 mm-40 -102.04 175.45 5.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.653 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 50.6 p -123.82 -168.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.019 HG11 ' HH2' ' A' ' 59' ' ' TRP . 18.8 m -132.59 134.01 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.719 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.38 76.08 0.0 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.825 ' N ' ' O ' ' A' ' 33' ' ' VAL . 24.1 p 174.5 -113.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.714 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.1 m-20 -94.06 -164.8 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.543 ' HA ' HG21 ' A' ' 32' ' ' THR . 9.3 p -87.54 33.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.714 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.1 m-30 -79.69 145.81 63.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 1.033 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.94 -175.71 16.55 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.981 -0.078 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.5 p80 177.28 170.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.647 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.5 ttpt -46.53 165.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.426 1.079 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.7 ' O ' ' C ' ' A' ' 43' ' ' ASN . 29.4 t80 -150.31 11.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.7 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.6 m120 -6.72 80.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.684 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 9.5 p30 -51.76 160.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.684 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -162.38 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.678 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 12.2 mt-10 -40.15 -22.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.4 57.26 0.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.065 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.881 ' CE1' HG22 ' A' ' 90' ' ' ILE . 93.6 m-85 -100.34 135.91 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.8 58.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.3 m-30 -56.63 117.08 3.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -63.01 -0.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.639 HG22 ' CB ' ' A' ' 87' ' ' ALA . 15.8 m -110.45 150.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.154 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 33.7 t -88.3 168.38 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.055 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.796 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -75.98 166.87 41.65 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.796 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.07 160.09 96.99 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 0.097 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.772 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 17.0 m-30 -105.54 123.85 48.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.928 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.9 m-30 -107.39 120.44 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.673 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.4 pp20? -78.16 137.92 38.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.019 ' HH2' HG11 ' A' ' 33' ' ' VAL . 62.8 t-105 -165.19 140.01 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 107.976 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.11 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 155.7 42.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.931 HD12 HG11 ' A' ' 78' ' ' VAL . 14.5 tt -121.18 122.92 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' A' ' 66' ' ' ASP . 17.6 mt -92.18 122.58 34.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -66.83 -4.94 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.94 -13.75 28.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 37.3 13.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.824 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -108.83 -169.3 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 6.7 t -119.49 106.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.11 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 17.9 t80 -42.7 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 p -96.24 -52.64 3.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -71.05 -148.69 0.54 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.742 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -135.74 34.62 2.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.525 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 5.6 p -133.84 58.55 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.427 0.722 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.665 ' CB ' ' CB ' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.03 43.15 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 57.29 -93.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -154.26 -29.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.486 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -64.97 131.3 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 17.0 mmt-85 -143.53 141.49 30.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.056 ' CB ' HD11 ' A' ' 86' ' ' LEU . 5.5 m -113.53 150.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.39 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.292 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 92.5 t -130.97 116.75 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.7 p90 -122.28 -155.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.154 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -139.38 -165.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.676 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.7 tt0 -90.31 6.59 42.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.724 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -97.5 -24.08 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.724 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 10.3 p-10 107.01 20.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.574 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 30.3 mt-30 -105.04 112.52 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.056 HD11 ' CB ' ' A' ' 78' ' ' VAL . 2.0 tt -98.5 149.88 22.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.041 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -157.38 -40.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 1.292 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.35 55.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.178 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -82.14 35.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.887 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -66.99 176.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.653 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -165.32 152.57 10.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.818 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 12.5 m-70 -74.89 11.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.93 88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.439 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.33 42.61 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.648 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.63 -9.19 3.53 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.676 ' C ' HD22 ' A' ' 99' ' ' ASN . 4.4 t 99.62 47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.0 -131.16 8.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 26.1 t30 -95.9 5.89 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.676 HD22 ' C ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -68.22 162.76 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.887 ' CD1' HG13 ' A' ' 90' ' ' ILE . 19.0 m-85 -116.63 166.93 11.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.727 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.1 m -161.86 125.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -54.57 123.36 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 95.4 m -50.0 177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.451 ' C ' ' H ' ' A' ' 5' ' ' THR . 70.8 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.489 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -128.08 -7.23 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.763 ' CB ' HG21 ' A' ' 89' ' ' VAL . 78.0 m-85 -134.57 87.52 2.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' ASN . 19.6 m -97.22 103.93 15.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 14.1 m -81.45 64.67 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.86 -54.79 0.99 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.2 p -131.69 54.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.035 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.844 HD22 ' CG ' ' A' ' 76' ' ' ASP . 5.4 m120 -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.489 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.38 60.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 108.253 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.728 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.78 96.82 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 15.2 p -62.09 177.97 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -17.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -81.98 -29.95 31.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.685 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.2 -40.14 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.004 HG11 HD12 ' A' ' 86' ' ' LEU . 91.1 t -58.23 -46.34 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.539 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 35.8 t -36.21 -50.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.01 -51.98 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.47 -42.13 91.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.539 ' OE1' ' HA ' ' A' ' 17' ' ' SER . 9.5 mt-30 -59.92 -55.14 37.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.02 -40.66 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -61.42 -62.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.77 -41.57 96.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.434 1.084 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 1.156 ' CE1' ' HA ' ' A' ' 83' ' ' ASN . 1.6 m-85 -54.73 -60.73 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -43.07 -50.22 6.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.049 HD22 HG13 ' A' ' 33' ' ' VAL . 10.5 tp -65.28 -34.16 77.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.783 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 54.9 t60 -65.93 -50.8 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.57 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.22 -25.1 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -92.8 -21.85 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.19 30.14 57.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.546 ' HB2' HD12 ' A' ' 26' ' ' LEU . 59.1 mm-40 -109.13 -178.7 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.93 ' HA ' HD21 ' A' ' 26' ' ' LEU . 27.8 p -120.9 -178.04 3.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.049 HG13 HD22 ' A' ' 26' ' ' LEU . 27.6 m -123.15 118.44 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 33' ' ' VAL . . . -2.95 62.25 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 33' ' ' VAL . 79.2 p 176.35 -148.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.726 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.5 m-20 -52.16 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 39' ' ' PRO . 66.5 p -91.75 35.08 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.726 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -80.66 143.33 54.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 1.004 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 -179.83 28.07 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.985 0.004 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.586 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.7 p80 -170.11 169.01 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.498 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 23.6 ttpt -51.43 166.31 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.739 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -159.27 -24.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.871 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 11.7 m-80 49.5 -104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.871 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.6 p-10 152.16 178.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 167.78 -45.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.936 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.62 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.1 -18.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 110.74 54.58 0.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.831 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.4 m-85 -97.33 134.49 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 0.746 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 67.05 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.828 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 15.7 m-30 -70.71 105.52 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.0 p -73.72 24.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.074 HG21 ' O ' ' A' ' 85' ' ' GLN . 30.5 m -129.92 161.22 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.839 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 4.6 m -93.33 154.46 17.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.826 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -69.72 171.4 7.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.826 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.0 Cg_endo -75.07 151.35 96.71 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.951 0.081 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.584 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 17.3 m-85 -90.53 112.67 24.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.847 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 13.5 m-30 -95.3 136.0 36.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.64 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -98.29 147.07 25.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.977 ' HH2' HG11 ' A' ' 33' ' ' VAL . 52.2 t-105 -164.32 146.41 7.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.936 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.04 153.05 41.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.538 1.809 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.613 ' CD1' HG22 ' A' ' 16' ' ' VAL . 13.4 tt -121.3 115.96 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.896 HD13 ' HB2' ' A' ' 66' ' ' ASP . 13.5 mt -88.1 119.07 28.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -3.99 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.51 -14.38 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.0 11.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.896 ' HB2' HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -107.02 -169.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 3.5 t -126.33 103.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.936 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 25.5 t80 -45.3 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 26.2 p -89.16 -38.19 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.665 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -84.72 -150.81 12.49 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.725 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -124.76 25.41 5.88 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -125.83 66.73 58.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.707 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.7 Cg_endo -74.9 -92.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 158.09 169.11 21.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.65 -45.92 7.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.844 ' CG ' HD22 ' A' ' 9' ' ' ASN . 18.1 m-20 -60.25 127.96 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.707 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -147.24 150.78 35.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.746 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -117.77 141.36 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.117 ' O ' ' N ' ' A' ' 87' ' ' ALA . 69.3 t -125.45 129.84 72.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 1.027 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 3.8 p90 -132.57 -160.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.178 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 2.0 p-10 -149.32 -121.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 1.178 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 51.1 tt0 -33.18 -95.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.156 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 3.5 p30 -158.71 85.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.8 ' N ' ' CZ ' ' A' ' 24' ' ' TYR . 1.9 p30 111.91 17.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 1.074 ' O ' HG21 ' A' ' 52' ' ' VAL . 1.8 mm100 -109.67 47.88 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.218 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.099 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.9 134.49 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.37 -44.87 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.98 -133.0 2.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.98 HG12 ' SG ' ' A' ' 103' ' ' CYS . 78.5 t -150.74 89.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.831 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -83.8 164.76 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.708 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.39 153.14 17.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.619 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.5 m170 -77.11 20.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.54 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.504 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -74.07 120.84 20.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 31.45 42.65 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.103 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -74.64 -20.88 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.9 t 83.56 45.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 128.06 -134.66 8.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 25.4 t30 -95.87 4.63 52.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.11 -177.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.699 ' O ' HG13 ' A' ' 101' ' ' VAL . 27.7 m-85 -132.89 167.48 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.2 m -162.19 134.94 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -58.53 125.4 23.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.9 m -55.25 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.625 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -36.95 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.163 ' CE2' HG21 ' A' ' 16' ' ' VAL . 89.7 m-85 -135.25 125.37 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.071 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.716 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.7 m -133.56 104.55 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.8 m -80.17 64.61 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.61 -52.01 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -150.01 48.35 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.744 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -123.61 -168.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.625 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 48.9 t -171.78 75.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.922 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 20.1 m-85 -87.62 43.53 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.831 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -24.63 149.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.006 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' SER . 6.5 p -38.38 -22.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.999 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.5 t -83.22 -23.04 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.922 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -84.71 -32.5 23.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.163 HG21 ' CE2' ' A' ' 4' ' ' TYR . 35.1 t -62.61 -66.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.486 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 33.8 t -42.41 -52.77 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.063 . . . . 0.0 110.009 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -51.57 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.703 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -43.66 96.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.722 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 2.9 mt-30 -57.2 -58.67 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.39 -37.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.103 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.67 -55.25 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.07 -42.99 99.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.677 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.7 t80 -67.3 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 18.4 tptt -40.58 -62.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.979 HD22 HG13 ' A' ' 33' ' ' VAL . 4.0 tp -57.14 -33.21 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.857 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.2 t60 -67.92 -52.51 35.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.636 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.604 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.21 -27.21 44.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.75 -16.85 31.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.94 23.78 75.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.9 mm-40 -102.0 179.86 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 0.718 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.939 ' HA ' HD21 ' A' ' 26' ' ' LEU . 23.9 p -126.51 170.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.469 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.979 HG13 HD22 ' A' ' 26' ' ' LEU . 16.9 m -116.01 121.64 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.56 ' HA3' ' HA3' ' A' ' 70' ' ' GLY . . . 80.2 -142.59 24.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -97.72 -20.3 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 0.719 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.612 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.6 m-20 -69.94 -165.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 39' ' ' PRO . 18.8 p -125.48 46.74 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.5 m-85 -102.91 145.78 31.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.914 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 -161.54 2.51 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.044 -0.105 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.764 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.1 p80 175.58 161.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.542 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.5 OUTLIER -41.9 163.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.744 ' CD1' HG11 ' A' ' 79' ' ' VAL . 44.1 t80 -147.17 10.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.0 m120 -7.71 82.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.74 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 8.3 p30 -52.96 162.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.74 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -168.63 -38.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -17.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 107.75 51.79 0.73 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 27.2 m-85 -97.19 137.54 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.04 57.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.6 m-30 -53.79 120.34 6.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.2 p -61.52 -1.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.662 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 14.7 m -108.99 150.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.363 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 14.1 m -85.11 179.36 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.764 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 12.9 p -87.07 164.25 36.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.781 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -75.03 175.2 48.93 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.946 -2.523 . . . . 0.0 111.04 0.021 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.826 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 11.8 m-30 -116.77 125.29 51.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.929 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.7 m-30 -111.09 119.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.764 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -77.16 139.06 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.855 ' CH2' HG11 ' A' ' 33' ' ' VAL . 63.5 t-105 -159.57 139.6 8.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.017 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.0 138.11 22.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.896 HD12 HG11 ' A' ' 78' ' ' VAL . 11.1 tt -107.72 111.3 35.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt -88.52 116.79 27.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.22 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -58.88 -14.72 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.002 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -18.22 56.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.36 38.25 11.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -109.98 -175.67 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.103 HG22 ' HB2' ' A' ' 22' ' ' ALA . 8.9 t -115.25 100.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.085 ' OH ' ' N ' ' A' ' 71' ' ' GLY . 17.6 t80 -36.14 127.96 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 10.5 p -109.94 45.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.731 ' C ' ' CE1' ' A' ' 68' ' ' TYR . . . 76.74 141.27 1.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.573 1.171 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 1.085 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 154.24 -145.31 12.45 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.606 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -130.27 53.0 10.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.865 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.92 45.87 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 111.101 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -58.02 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.697 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . -19.49 -56.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 74' ' ' GLY . 92.3 m-20 -122.9 114.63 20.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -138.7 144.73 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.068 ' CB ' HD21 ' A' ' 86' ' ' LEU . 4.4 m -118.01 150.53 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.272 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.3 t -129.58 118.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.929 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.3 p90 -127.01 -157.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.363 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -139.64 -168.99 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.748 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 1.2 tp10 -89.45 21.55 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.707 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -112.57 -20.23 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.707 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.0 p-10 103.3 21.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.662 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 27.8 mt-30 -107.92 105.31 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.108 HD23 HG13 ' A' ' 16' ' ' VAL . 3.1 tp -99.43 141.74 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -146.97 -45.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 1.272 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -44.31 54.68 0.0 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.08 HG11 ' HB3' ' A' ' 4' ' ' TYR . 52.9 t -84.57 40.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 0.776 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.842 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.38 172.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.794 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.84 163.39 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.586 ' HB2' ' HA ' ' A' ' 75' ' ' ALA . 13.1 m170 -84.16 -10.69 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 109.599 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -35.58 97.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' SER . . . 38.39 37.05 0.46 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.101 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -67.56 61.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.3 OUTLIER 34.46 30.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 110.056 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.0 -125.23 4.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 15.1 t30 -98.75 2.92 47.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.391 0.701 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 1.101 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -62.47 172.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.842 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.2 m-85 -119.31 158.8 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 27.1 m -160.07 123.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.415 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -49.99 123.77 8.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -50.88 173.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 108.344 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.8 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.525 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -37.71 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.213 ' CE2' HG21 ' A' ' 16' ' ' VAL . 91.4 m-85 -137.9 115.41 11.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.694 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.5 m -124.9 107.01 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.8 m -82.14 64.71 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.94 -54.98 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.544 1.152 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.427 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -146.49 48.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.978 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.745 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.4 -169.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t -171.76 73.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.88 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.8 m-85 -86.07 46.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.81 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -27.15 151.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.4 p -38.67 -22.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -83.02 -25.18 32.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.88 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.17 -26.25 28.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.213 HG21 ' CE2' ' A' ' 4' ' ' TYR . 47.6 t -71.46 -70.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.438 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.4 t -38.26 -49.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -51.15 35.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -62.04 -44.59 96.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.775 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.7 mt-30 -56.27 -58.32 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.53 -39.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.958 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.35 -59.54 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -59.87 -39.3 95.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.611 ' OH ' ' C ' ' A' ' 82' ' ' GLU . 1.3 t80 -68.48 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 11.5 tptp -38.41 -59.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 33' ' ' VAL . 1.9 tp -59.87 -34.86 73.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.3 t60 -66.6 -50.7 62.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.22 -26.83 61.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.23 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.01 -17.23 29.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.38 22.82 72.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.1 mm-40 -100.99 179.29 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.99 ' HA ' HD21 ' A' ' 26' ' ' LEU . 82.5 p -125.55 169.5 12.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 26' ' ' LEU . 4.4 m -115.92 128.85 73.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' HA3' ' O ' ' A' ' 69' ' ' SER . . . 72.1 -152.06 48.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -96.41 15.09 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.979 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.6 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.1 m-20 -104.9 -165.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.17 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 39' ' ' PRO . 12.7 p -121.06 43.28 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.966 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.6 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.92 142.96 25.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.887 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.07 -162.89 2.93 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.645 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.2 p80 170.61 163.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.529 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -42.36 163.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.788 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 36.8 t80 -146.11 10.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.0 m-20 -4.84 77.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 9.3 p30 -47.38 160.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -163.78 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 18.0 mt-10 -41.91 -20.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 110.81 56.48 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.875 ' CE1' HG22 ' A' ' 90' ' ' ILE . 86.5 m-85 -98.57 132.84 43.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 57.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -55.84 114.72 2.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -60.73 -0.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.57 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 15.9 m -110.98 151.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.358 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 14.6 t -88.07 172.17 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.798 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.0 p -79.85 166.34 41.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.798 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.0 162.1 93.54 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.033 0.024 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.595 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 17.1 m-30 -107.93 128.21 54.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -111.81 113.69 26.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.788 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.8 pt-20 -77.27 137.1 38.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 58.5 t-105 -155.55 140.59 12.22 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.046 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.742 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.789 HD12 HG11 ' A' ' 78' ' ' VAL . 8.4 tt -103.72 112.35 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 mt -88.06 117.42 26.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -13.27 10.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -79.82 -17.41 53.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.22 37.76 12.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.99 -175.15 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 ' HB2' ' A' ' 22' ' ' ALA . 16.6 t -115.71 102.02 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.046 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 23.5 t80 -36.72 126.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.544 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 60.3 p -100.72 45.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.696 ' HA2' ' CE2' ' A' ' 68' ' ' TYR . . . 65.52 154.73 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.619 1.2 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 1.04 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 136.78 -140.62 11.61 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 74' ' ' GLY . 1.3 m -124.89 73.65 64.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.408 0.711 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.755 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 41.32 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.783 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -59.25 114.54 6.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.797 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . 149.03 -64.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.51 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 10.2 m-20 -122.83 118.46 28.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.713 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -141.45 142.64 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.002 ' CB ' HD11 ' A' ' 86' ' ' LEU . 9.3 m -114.29 148.0 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.317 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 71.8 t -128.95 110.7 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.3 p90 -120.33 -169.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.358 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -127.95 -171.02 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.703 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 2.9 tt0 -88.7 17.48 5.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.767 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.47 -19.35 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.713 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 6.2 p-10 102.48 25.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.57 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 46.7 mt-30 -113.82 117.16 30.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.037 HD13 HG13 ' A' ' 16' ' ' VAL . 1.5 tt -102.74 146.5 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.952 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -152.18 -38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 1.317 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.27 54.46 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.196 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -83.88 34.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.875 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -64.67 174.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.797 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.9 148.39 10.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.629 ' O ' ' N ' ' A' ' 94' ' ' GLY . 12.9 m-70 -70.55 1.41 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.575 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -29.75 88.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.388 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.54 39.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.901 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -52.56 171.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.0 t -62.82 8.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 152.3 -121.67 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 18.9 t30 -92.85 1.49 57.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.901 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 4.9 p-10 -66.31 -165.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.862 ' CD1' HG13 ' A' ' 90' ' ' ILE . 40.4 m-85 -139.79 171.33 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.716 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 27.8 m -160.79 125.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.535 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 1.4 pt-20 -55.08 123.57 14.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 96.3 m -51.09 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 108.242 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.435 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.667 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -41.26 -28.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.056 ' CE2' HG21 ' A' ' 16' ' ' VAL . 69.4 m-85 -139.9 110.38 6.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.566 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.4 m -118.6 103.43 9.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 24.9 m -78.7 67.79 4.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.58 -47.05 3.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -160.99 48.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.831 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.8 -166.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.667 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 47.7 t -171.8 76.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.897 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.5 m-85 -90.98 47.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -25.13 149.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.7 p -38.24 -24.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.2 t -82.07 -24.49 35.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.897 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.36 -28.92 31.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.1 HG12 ' OE1' ' A' ' 20' ' ' GLN . 69.1 t -76.24 -66.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 39.7 t -37.81 -49.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -52.44 53.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.561 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.85 -43.4 98.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 1.1 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.6 mt-30 -59.44 -55.16 38.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.01 -38.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.07 -53.04 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.635 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.46 -39.84 37.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.795 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 5.8 t80 -75.1 -73.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.41 -50.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.944 HD21 HG13 ' A' ' 33' ' ' VAL . 56.6 tp -67.42 -36.88 82.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.837 ' CD2' ' CE2' ' A' ' 57' ' ' TYR . 9.8 t60 -64.55 -45.19 88.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.653 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -25.46 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 55.3 m-20 -80.86 -22.16 40.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.21 78.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 26' ' ' LEU . 4.0 mm-40 -97.12 178.3 5.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 62.5 p -132.09 176.42 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.944 HG13 HD21 ' A' ' 26' ' ' LEU . 3.4 m -134.98 152.98 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.81 -154.94 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -97.75 45.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.638 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -139.74 -166.63 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 39' ' ' PRO . 4.5 p -118.68 38.52 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.638 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -93.27 147.14 33.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.803 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -170.57 8.39 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.033 -0.03 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.628 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 26.5 p80 178.26 170.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 4.3 ttmt -50.47 169.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.709 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 17.7 t80 -153.06 11.92 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m120 -6.42 85.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.772 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.6 p30 -53.3 167.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -177.0 -43.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.52 -20.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.95 57.28 0.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.745 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 84.1 m-85 -101.17 139.36 36.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.84 75.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.214 -179.884 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 1.139 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 17.8 m-30 -80.71 120.2 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.5 p -81.02 22.32 0.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.984 HG21 ' O ' ' A' ' 85' ' ' GLN . 34.3 m -127.53 156.87 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.866 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -94.75 142.88 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.807 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -52.54 169.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.855 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.7 Cg_endo -74.95 152.43 98.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.065 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.56 ' CE2' ' ND2' ' A' ' 44' ' ' ASN . 23.3 m-85 -92.45 110.87 22.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.007 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -94.96 129.46 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.647 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.0 pp20? -92.95 141.03 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.911 ' O ' ' N ' ' A' ' 78' ' ' VAL . 59.3 t-105 -162.07 138.97 6.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.177 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 154.53 42.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.575 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 18.1 tt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 68' ' ' TYR . 90.9 mt -94.21 120.48 34.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.2 t -59.57 -12.52 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.27 -16.93 41.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.942 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.42 35.71 13.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.28 -171.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 22' ' ' ALA . 5.3 t -109.03 107.33 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.177 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 1.1 t80 -43.39 93.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.492 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 78.3 p -123.46 48.2 1.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.944 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.87 -52.42 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.478 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 102.75 24.99 7.84 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.63 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.45 52.52 2.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.63 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.0 -56.08 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.793 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 27.72 87.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.985 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 147.11 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.782 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.0 m-20 -70.26 134.05 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 1.011 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -155.02 131.01 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -102.12 130.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.107 ' O ' ' N ' ' A' ' 87' ' ' ALA . 81.9 t -110.78 131.65 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.391 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 1.007 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -142.33 -176.08 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.265 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 2.1 p-10 -128.8 -117.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 1.265 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 47.1 tt0 -29.74 -56.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.795 ' HB3' ' CG ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -171.81 -89.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' A' ' 84' ' ' ASN . 0.5 OUTLIER -79.66 18.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 1.105 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 9.7 mm100 -90.04 45.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.08 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -37.46 137.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.139 ' HB1' ' CD2' ' A' ' 50' ' ' PHE . . . -87.02 -33.64 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.621 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 169.01 -146.77 10.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.918 HG21 ' CG ' ' A' ' 4' ' ' TYR . 24.6 t -143.32 88.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.807 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.809 HD13 ' CG2' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -82.16 161.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.985 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -157.15 150.89 24.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.9 m170 -74.16 -5.93 44.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -34.16 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.8 42.82 0.05 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.571 1.17 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.635 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -62.98 -10.29 13.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 0.838 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.652 ' C ' HD22 ' A' ' 99' ' ' ASN . 3.4 t 97.65 46.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.21 -131.03 8.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 26.6 t30 -96.14 5.31 51.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.652 HD22 ' C ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -67.28 169.96 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.362 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.742 ' O ' HG13 ' A' ' 101' ' ' VAL . 28.6 m-85 -121.76 167.69 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.4 m -162.71 132.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -59.33 123.17 15.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 64.3 m -55.7 -166.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.365 -179.97 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.503 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.13 -27.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.246 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.0 m-85 -139.74 113.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.15 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -123.08 104.93 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.049 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.5 m -79.34 62.99 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.37 -49.61 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.0 p -152.82 48.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.781 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -125.0 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 39.4 t -172.76 76.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.294 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.846 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 16.5 m-85 -90.05 51.92 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.793 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -29.75 152.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -39.11 -22.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.6 t -83.07 -25.25 32.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.846 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -84.36 -22.73 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.246 HG21 ' CE2' ' A' ' 4' ' ' TYR . 41.9 t -76.56 -70.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' VAL . 33.0 t -37.4 -45.91 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.15 -54.3 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.819 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -44.1 96.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.807 ' OE1' HG12 ' A' ' 16' ' ' VAL . 6.9 mt-30 -55.75 -57.16 13.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -33.73 -33.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.924 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -86.02 -47.02 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.27 -43.71 98.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -72.27 -65.03 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 110.978 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -38.33 -56.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.949 HD11 ' C ' ' A' ' 31' ' ' GLU . 13.9 tp -61.68 -36.66 81.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 27.9 t60 -64.06 -48.02 77.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 109.652 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -61.87 -24.55 67.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -86.31 -20.26 28.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.33 23.05 78.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.949 ' C ' HD11 ' A' ' 26' ' ' LEU . 20.3 mm-40 -102.11 178.59 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 110.195 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.7 p -126.47 -171.76 2.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.952 HG11 ' HH2' ' A' ' 59' ' ' TRP . 28.1 m -133.42 131.02 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.827 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.71 79.88 0.0 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.878 ' HB2' ' N ' ' A' ' 71' ' ' GLY . 43.1 t 178.17 -94.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.716 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 52.2 m-20 -121.91 -162.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . 8.6 p -83.93 31.69 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.716 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -82.9 146.06 51.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.5 Cg_endo -75.0 179.85 29.2 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.005 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.664 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 26.2 p80 -179.52 167.56 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.57 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -43.46 166.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.726 ' CD2' HG11 ' A' ' 79' ' ' VAL . 31.4 t80 -148.21 11.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.0 m-20 -3.48 85.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 9.0 p30 -60.54 166.72 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -170.02 -43.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 16.8 mt-10 -39.37 -23.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 112.22 58.73 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.876 ' CE1' HG22 ' A' ' 90' ' ' ILE . 86.9 m-85 -101.29 134.39 44.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 0.767 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.63 58.19 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.1 m-30 -56.35 112.33 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.44 0.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.9 m -110.58 150.78 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' SER . . . . . 1.104 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 74.2 m -86.83 171.09 11.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.766 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 8.9 p -79.23 164.82 52.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.766 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -75.02 171.03 70.18 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.991 0.023 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.745 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.9 m-30 -115.08 126.2 54.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.939 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.2 m-30 -110.21 119.8 40.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.664 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.7 pt-20 -78.53 139.56 38.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.952 ' HH2' HG11 ' A' ' 33' ' ' VAL . 58.1 t-105 -164.72 139.77 4.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.031 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 148.44 35.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.916 HD12 HG11 ' A' ' 78' ' ' VAL . 10.9 tt -114.0 130.56 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.835 HD13 ' HB2' ' A' ' 66' ' ' ASP . 20.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -69.45 0.53 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -96.9 -13.32 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.67 40.06 9.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.4 m-20 -114.18 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.924 HG22 ' HB2' ' A' ' 22' ' ' ALA . 3.9 t -122.47 106.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.031 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -44.83 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.64 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 83.3 p -97.09 -5.65 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.827 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -132.91 148.92 19.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.878 ' N ' ' HB2' ' A' ' 35' ' ' SER . . . -69.94 43.71 0.51 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.671 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 92.7 p -142.34 50.3 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.752 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.06 -83.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 165.62 161.25 14.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.778 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.42 -33.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.471 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.6 m-20 -67.15 124.66 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.752 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 1.1 mmt180 -141.26 144.24 34.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.126 ' CB ' HD11 ' A' ' 86' ' ' LEU . 4.1 m -114.52 150.21 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.303 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 98.6 t -132.25 114.09 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.939 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.5 p90 -119.69 -155.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.104 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -138.83 -163.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.783 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 55.2 tt0 -92.46 4.93 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.722 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -95.46 -23.22 17.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 9.6 p-10 106.38 21.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.588 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 34.1 mt-30 -107.51 115.19 29.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.126 HD11 ' CB ' ' A' ' 78' ' ' VAL . 3.5 tt -99.95 152.74 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -159.52 -42.38 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 1.303 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -51.15 56.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.169 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.5 t -83.47 33.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.902 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.39 175.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.778 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -162.94 148.52 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.664 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.3 m-70 -74.21 11.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.0 83.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.446 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.6 36.44 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.904 ' C ' HD22 ' A' ' 99' ' ' ASN . . . -51.58 -33.57 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.711 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 14.7 t 137.05 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.48 -117.85 4.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -95.39 -7.51 38.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 0.787 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.904 HD22 ' C ' ' A' ' 95' ' ' ALA . 22.9 p-10 -61.88 156.19 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.902 ' CD1' HG13 ' A' ' 90' ' ' ILE . 23.0 m-85 -111.06 169.03 9.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 100' ' ' PHE . 27.7 m -163.79 127.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.515 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -48.37 130.9 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.15 ' O ' ' O ' ' A' ' 5' ' ' THR . 44.9 m -59.51 -7.29 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.286 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.886 HG23 ' C ' ' A' ' 103' ' ' CYS . 2.6 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.526 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -39.67 -28.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 1.202 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.4 m-85 -136.22 114.08 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.698 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.9 m -125.78 104.94 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.8 m -80.61 66.43 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.48 -51.7 4.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.6 p -152.55 48.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.049 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.752 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -122.92 -167.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 44.5 t -170.9 74.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.878 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 22.4 m-85 -88.37 45.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.804 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -27.6 151.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 62.3 p -38.83 -22.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -82.3 -24.97 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.878 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.91 -28.11 28.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.202 HG21 ' CE2' ' A' ' 4' ' ' TYR . 40.8 t -69.51 -67.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.621 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 6.8 t -40.43 -52.06 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.46 -54.29 7.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.75 -44.07 90.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.863 ' NE2' HG12 ' A' ' 16' ' ' VAL . 12.7 mt-30 -53.85 -57.37 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.27 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.086 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -85.12 -46.94 10.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.5 -44.22 97.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -74.32 -63.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 5.9 tptm -38.58 -58.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.006 HD23 ' HD3' ' A' ' 39' ' ' PRO . 49.0 tp -60.58 -32.22 71.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 37.7 t60 -70.49 -52.24 23.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -53.66 -27.88 29.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -84.8 -14.78 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.79 23.66 77.69 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.056 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.7 mm-40 -107.43 172.8 6.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p -132.98 163.82 28.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.037 HG11 ' HH2' ' A' ' 59' ' ' TRP . 3.5 m -83.56 123.35 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.954 ' O ' ' HB2' ' A' ' 35' ' ' SER . . . -36.37 105.66 0.03 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' SER . . . . . 1.147 ' HB3' ' N ' ' A' ' 71' ' ' GLY . 0.3 OUTLIER 152.22 -64.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.991 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.712 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -126.49 -157.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.575 ' HA ' HG21 ' A' ' 32' ' ' THR . 51.6 p -109.36 37.98 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.065 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.712 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -94.3 145.88 30.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 1.006 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.06 -170.04 7.92 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.952 0.064 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.8 p80 179.17 168.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.0 OUTLIER -51.98 159.26 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.796 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 21.0 t80 -151.58 -64.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 111.06 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.858 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-20 81.94 -99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.858 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 3.3 p-10 149.82 174.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 178.52 -47.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.676 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt-10 -45.92 -16.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.43 54.06 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.003 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.3 m-85 -94.37 135.41 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 58.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.712 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.5 m-30 -56.32 109.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.2 p -60.64 0.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.569 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.8 m -111.94 151.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -88.11 176.56 7.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.718 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 23.1 p -77.74 162.12 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.816 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -74.97 173.73 56.33 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.978 -0.001 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.84 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 12.7 m-30 -119.78 113.84 21.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 21.0 m-30 -102.74 120.88 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.698 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -79.91 140.39 36.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.037 ' HH2' HG11 ' A' ' 33' ' ' VAL . 43.5 t-105 -163.01 144.84 7.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 107.989 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.97 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.06 143.99 29.5 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.921 HD12 HG11 ' A' ' 78' ' ' VAL . 7.4 tt -110.76 114.92 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 68' ' ' TYR . 98.4 mt -85.82 120.03 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -56.18 -14.57 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -11.83 48.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.34 36.6 38.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -111.21 -172.92 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.086 HG22 ' HB2' ' A' ' 22' ' ' ALA . 53.7 t -108.38 113.75 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.696 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 10.5 t80 -40.11 167.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.053 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.707 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 71.2 p -104.68 -27.44 11.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 110.002 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 1.085 ' C ' ' HB3' ' A' ' 35' ' ' SER . . . 126.48 159.75 10.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 1.147 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 86.79 -131.55 10.62 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.563 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.1 p -90.93 102.34 5.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 109.958 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.879 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.5 Cg_endo -74.95 -10.04 21.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.24 -103.62 0.66 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -138.25 -47.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 0.715 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.537 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.28 128.03 34.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.632 ' HD3' ' HG2' ' A' ' 73' ' ' PRO . 1.5 mmt-85 -143.08 149.61 38.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.087 ' CB ' HD21 ' A' ' 86' ' ' LEU . 3.5 m -119.37 148.49 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.253 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 85.6 t -131.81 118.05 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -123.53 -158.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.816 ' ND2' ' O ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -135.15 -167.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 18.5 tt0 -89.43 8.65 29.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.729 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -98.22 -24.36 15.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.729 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 10.7 p-10 108.72 19.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 29.8 mt-30 -105.7 111.26 23.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.087 HD21 ' CB ' ' A' ' 78' ' ' VAL . 3.7 tp -102.39 143.62 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.065 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -149.59 -45.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 1.253 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -39.65 57.44 0.0 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.128 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.7 t -82.06 35.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.003 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -65.47 173.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.701 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.92 153.64 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.663 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.6 m170 -75.69 12.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.659 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.83 88.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.47 42.02 0.08 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.655 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.88 -8.55 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.71 ' C ' HD22 ' A' ' 99' ' ' ASN . 4.8 t 100.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.33 -131.89 9.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.098 . . . . 0.0 110.949 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 28.1 t30 -95.89 12.56 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.71 HD22 ' C ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -73.64 167.26 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.844 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.8 m-85 -120.27 165.45 14.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 100' ' ' PHE . 34.7 m -162.91 124.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.504 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -52.1 122.31 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.7 m -49.86 176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 5' ' ' THR . 81.0 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.499 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.498 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -130.97 -4.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.774 ' CB ' HG21 ' A' ' 89' ' ' VAL . 79.6 m-85 -137.6 89.36 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.49 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 8.2 m -99.1 103.74 15.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.0 m -81.51 65.14 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.367 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 -55.19 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.602 1.189 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 p -133.08 54.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 109.984 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.739 HD22 ' CG ' ' A' ' 76' ' ' ASP . 5.2 m120 -141.78 -175.31 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.35 62.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.348 -179.921 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.724 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -130.14 96.8 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 28.3 p -62.87 -177.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -54.04 -16.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -82.4 -29.71 30.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.69 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.83 -40.24 18.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.09 ' CG1' HD13 ' A' ' 86' ' ' LEU . 94.3 t -55.91 -48.52 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.516 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.7 t -36.3 -53.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -52.15 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.361 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.16 -41.99 89.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.692 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 11.8 mt-30 -60.44 -56.22 24.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.88 -36.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.922 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -73.27 -54.58 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -52.79 -42.68 59.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.677 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 9.3 t80 -68.82 -66.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -33.18 -57.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 33' ' ' VAL . 3.8 tp -62.81 -38.64 91.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.824 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.7 t60 -63.08 -48.33 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.654 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -59.67 -28.69 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.25 -16.38 35.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 22.98 75.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.545 ' HB2' HD12 ' A' ' 26' ' ' LEU . 8.4 mm-40 -100.3 178.51 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.922 ' HA ' HD21 ' A' ' 26' ' ' LEU . 34.6 p -126.21 -177.33 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 26' ' ' LEU . 4.0 m -134.97 125.84 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.569 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 79.36 -144.5 27.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -97.11 -13.65 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.567 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.9 m-20 -79.51 -166.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 p -125.13 45.69 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.6 m-85 -98.39 147.54 33.27 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.903 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -171.42 9.37 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.941 0.069 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -178.96 161.93 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.622 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 42' ' ' TYR . 1.3 tttm -41.29 162.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.706 ' O ' ' C ' ' A' ' 43' ' ' ASN . 14.5 t80 -148.69 11.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -4.79 86.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.754 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.9 p30 -55.08 164.31 0.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.97 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 11.2 mt-10 -43.77 -20.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.64 56.06 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 90' ' ' ILE . 92.5 m-85 -103.41 134.59 46.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.67 68.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.975 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.3 m-30 -69.0 121.27 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -77.09 21.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.995 HG21 ' O ' ' A' ' 85' ' ' GLN . 12.9 m -127.57 147.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 54' ' ' SER . 51.1 m -85.54 135.97 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.743 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -41.07 166.78 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 1.126 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.01 175.52 47.5 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.021 0.055 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.615 ' CE2' ' ND2' ' A' ' 44' ' ' ASN . 22.4 m-85 -115.22 109.01 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.947 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.4 m-30 -95.22 120.55 35.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.704 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.36 122.26 32.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.961 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 45.5 t-105 -137.17 147.15 57.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.961 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 153.85 41.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.493 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 16.6 tt -121.56 114.88 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.378 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 66' ' ' ASP . 25.7 mt -86.4 123.51 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.93 -2.6 5.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -95.66 -15.97 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.04 39.56 9.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.71 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.2 m-20 -113.27 -173.05 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 22' ' ' ALA . 11.9 t -115.5 104.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.209 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.859 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 18.3 t80 -44.55 103.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.494 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 24.9 p -112.04 43.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.669 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -140.59 -160.58 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.671 ' HA2' ' HH ' ' A' ' 68' ' ' TYR . . . -112.65 -23.63 5.29 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -121.35 90.14 47.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.744 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.08 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.571 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 168.02 175.0 37.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.768 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -49.56 -49.5 46.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 0.825 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.739 ' CG ' HD22 ' A' ' 9' ' ' ASN . 5.9 m-20 -57.71 126.05 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.744 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.62 145.77 27.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.846 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -112.7 135.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.5 t -114.03 136.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.947 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.7 p90 -153.07 161.08 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.286 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.55 -109.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 1.286 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 2.2 tt0 -37.49 -63.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.158 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.7 OUTLIER -163.9 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.888 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.919 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.9 23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 1.402 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -84.1 30.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.373 179.939 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.09 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -27.82 114.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.975 ' HB1' ' CG ' ' A' ' 50' ' ' PHE . . . -71.33 -37.07 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 165.19 -140.12 6.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.97 HG12 ' SG ' ' A' ' 103' ' ' CYS . 79.8 t -144.41 90.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.3 pt -84.83 165.23 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.98 153.16 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.768 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 7.8 m170 -83.15 14.28 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.3 84.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.409 1.068 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.924 ' C ' HD22 ' A' ' 99' ' ' ASN . . . -52.12 -36.65 51.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.714 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 12.0 t 138.02 40.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.42 -117.87 4.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 45.6 t30 -93.92 -9.82 35.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.737 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.924 HD22 ' C ' ' A' ' 95' ' ' ALA . 22.0 p-10 -60.54 148.09 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.756 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.3 m-85 -104.92 168.47 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 100' ' ' PHE . 30.9 m -163.29 136.57 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.617 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.09 126.3 26.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.5 m -54.79 -167.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.998 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -129.54 -6.04 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.773 ' CB ' HG21 ' A' ' 89' ' ' VAL . 90.1 m-85 -134.39 87.61 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 9' ' ' ASN . 12.3 m -97.4 102.42 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.8 m -80.75 64.33 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.12 -54.41 0.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.429 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 13.9 p -131.15 53.65 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.759 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.722 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -142.95 -175.49 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.13 60.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.71 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -127.05 99.56 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -64.58 178.6 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.977 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.481 ' N ' ' OG ' ' A' ' 12' ' ' SER . 26.4 p -50.91 -17.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.6 t -81.65 -29.43 33.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.936 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.687 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.74 -40.38 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.059 ' CG1' HD13 ' A' ' 86' ' ' LEU . 95.8 t -56.31 -47.04 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.488 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.3 t -36.38 -52.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.5 -54.85 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.21 -42.32 85.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.715 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 12.8 mt-30 -59.35 -54.69 43.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.37 -38.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.29 -52.16 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.611 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.01 -40.29 58.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.6 t80 -73.39 -71.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -34.56 -52.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.93 HD11 ' C ' ' A' ' 31' ' ' GLU . 9.4 tp -65.88 -38.45 88.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.9 t60 -63.5 -44.74 93.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.641 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.37 -26.87 68.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 6.3 m-20 -83.29 -20.92 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.99 23.93 70.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.571 1.169 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.93 ' C ' HD11 ' A' ' 26' ' ' LEU . 3.7 mm-40 -99.96 177.58 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 69.4 p -130.73 179.08 6.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.859 HG13 HD21 ' A' ' 26' ' ' LEU . 3.0 m -136.63 129.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.73 -147.06 29.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.7 m -96.75 -12.57 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.603 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.2 m-20 -80.21 -164.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.378 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.5 p -123.88 43.59 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.603 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.27 145.33 29.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.612 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 -174.42 14.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.057 -0.025 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.743 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 29.9 p80 178.53 167.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.595 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.34 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.801 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 20.9 t80 -152.99 13.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.691 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -4.81 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.744 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.8 p30 -58.27 170.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.744 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -178.04 -43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.946 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.2 mp0 -41.64 -22.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.77 57.8 0.31 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.8 m-85 -101.78 137.67 39.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.83 71.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.898 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 20.4 m-30 -75.0 115.38 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.9 p -75.33 21.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.067 HG21 ' O ' ' A' ' 85' ' ' GLN . 16.1 m -128.67 149.27 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.7 m -89.11 134.82 33.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.857 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -43.44 173.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.971 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.07 149.62 94.01 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.99 0.038 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.579 ' CE2' ' ND2' ' A' ' 44' ' ' ASN . 24.9 m-85 -90.0 114.26 26.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -97.63 119.98 37.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.801 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -87.75 126.08 34.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.057 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.3 t-105 -143.6 148.73 44.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.057 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.96 156.22 43.14 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.504 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.6 tt -123.59 119.02 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.716 HD13 ' HB2' ' A' ' 66' ' ' ASP . 28.7 mt -91.65 119.43 31.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -64.38 -5.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -16.63 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.32 37.63 9.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.716 ' HB2' HD13 ' A' ' 62' ' ' LEU . 57.0 m-20 -111.53 -170.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.911 HG22 ' HB2' ' A' ' 22' ' ' ALA . 4.4 t -118.99 106.53 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.362 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.899 ' OH ' ' HA2' ' A' ' 71' ' ' GLY . 5.7 t80 -43.74 137.79 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.764 ' O ' ' O ' ' A' ' 70' ' ' GLY . 55.8 p -123.97 -67.29 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.764 ' O ' ' O ' ' A' ' 69' ' ' SER . . . -44.81 -155.26 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.899 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -116.91 -10.14 10.23 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.7 p -116.03 81.69 10.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.713 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.1 Cg_endo -75.04 -56.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 145.01 169.38 13.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.757 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -49.1 -45.66 43.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.602 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 6.7 m-20 -59.13 125.62 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.713 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.93 145.19 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.795 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -109.4 141.77 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.945 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.4 t -120.16 135.45 60.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -152.38 162.26 41.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.273 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.53 -110.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 1.273 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 1.6 tt0 -36.93 -63.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.156 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.7 OUTLIER -163.45 -78.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.934 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.98 23.87 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 1.39 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.96 31.42 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.059 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -28.01 114.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.945 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.37 -36.46 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 164.39 -136.32 4.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.001 HG12 ' SG ' ' A' ' 103' ' ' CYS . 70.1 t -147.79 91.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.821 HD13 ' CG2' ' A' ' 79' ' ' VAL . 1.4 pt -85.17 164.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.29 146.2 11.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.633 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 7.9 m170 -71.5 22.02 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.603 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -44.32 86.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.128 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -46.27 170.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.2 t -68.48 11.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 156.11 -124.36 1.46 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 20.7 t30 -92.43 1.09 57.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.22 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 1.128 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 4.3 p-10 -64.1 -162.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.67 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 42.4 m-85 -141.54 172.81 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 100' ' ' PHE . 27.6 m -161.07 133.15 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.1 OUTLIER -58.83 126.11 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.05 -162.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.749 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.472 ' N ' ' HB3' ' A' ' 12' ' ' SER . 9.7 m-20 -137.41 -5.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.896 ' CG ' HG21 ' A' ' 89' ' ' VAL . 85.6 m-85 -133.89 94.41 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 9' ' ' ASN . 11.5 m -100.89 104.81 16.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.0 m -81.49 64.61 6.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.11 -54.13 1.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 p -133.12 52.12 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.812 HD22 ' CG ' ' A' ' 76' ' ' ASP . 4.1 m120 -140.09 -175.28 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.749 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.0 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.28 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.75 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -125.47 99.23 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.472 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 64.2 p -63.49 178.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.72 -16.79 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.81 -29.41 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.68 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.93 -39.42 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.014 ' CG1' HD13 ' A' ' 86' ' ' LEU . 88.0 t -56.52 -47.27 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.476 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 10.8 t -37.56 -50.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -49.8 -56.12 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.436 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.673 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -56.77 -42.95 80.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.666 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.4 mt-30 -57.21 -54.95 41.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.1 -37.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.212 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.949 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.01 -53.53 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.541 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.63 -40.15 39.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.157 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.771 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 7.2 t80 -72.46 -72.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 36.8 tptt -35.8 -51.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.919 HD11 ' C ' ' A' ' 31' ' ' GLU . 13.5 tp -67.67 -35.36 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.807 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 17.4 t60 -66.88 -45.68 77.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.643 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.85 -23.09 65.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 56.2 m-20 -84.26 -22.05 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.08 23.32 71.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.919 ' C ' HD11 ' A' ' 26' ' ' LEU . 3.2 mm-40 -97.7 178.58 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 82.7 p -136.08 170.4 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.912 HG13 HD21 ' A' ' 26' ' ' LEU . 3.1 m -133.68 136.14 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.482 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.6 -150.41 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 m -98.87 0.14 43.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.629 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.9 m-20 -94.25 -165.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.2 p -121.79 42.07 3.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.629 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-30 -92.82 148.41 35.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.639 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.96 -172.8 11.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.016 -0.054 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.627 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 -177.74 171.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.546 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.502 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -53.66 168.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.705 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -160.11 -25.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.848 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-80 51.94 -107.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.848 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 3.1 p30 153.67 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.05 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 111.066 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.96 -20.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.49 59.34 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.368 1.043 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.862 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.5 m-85 -100.59 136.81 39.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 66.2 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.916 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 14.1 m-30 -70.74 101.58 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -73.14 24.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.044 HG21 ' O ' ' A' ' 85' ' ' GLN . 13.4 m -128.17 148.12 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 54' ' ' SER . 7.0 t -85.34 136.56 33.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.172 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.748 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.2 p -41.72 165.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 1.073 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.04 175.89 45.89 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.927 0.147 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 19.7 m-85 -116.38 105.92 13.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.912 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.4 m-30 -92.22 144.94 24.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -109.22 134.34 51.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 32.6 t-105 -156.45 141.23 12.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.152 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.1 148.62 35.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.673 HG13 ' HB2' ' A' ' 19' ' ' ALA . 4.3 tt -114.16 116.65 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 68' ' ' TYR . 95.8 mt -82.72 120.77 26.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 p -57.63 -13.93 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.021 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.59 -18.2 39.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.64 34.44 13.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.91 -174.05 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.1 t -105.15 106.42 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.152 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -42.63 112.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.974 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 p -102.19 -73.33 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' SER . . . -55.88 123.78 31.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.482 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.64 65.41 0.11 Allowed Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.717 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.3 t -149.29 47.8 0.52 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.717 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.04 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.774 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 20.97 92.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.43 1.081 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.094 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.35 -85.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.254 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.812 ' CG ' HD22 ' A' ' 9' ' ' ASN . 50.4 m-20 -93.1 131.17 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.959 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -151.83 137.34 17.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.859 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.52 129.23 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.976 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.6 t -101.77 137.99 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.8 p90 -153.33 162.45 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.301 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.2 -107.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 1.301 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 30.1 tt0 -39.32 -63.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.237 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.159 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.7 OUTLIER -164.55 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.909 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.54 22.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 1.431 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.64 33.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.014 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -30.29 114.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.976 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.04 -37.39 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.516 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 170.98 -147.85 10.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.983 HG12 ' SG ' ' A' ' 103' ' ' CYS . 88.8 t -139.12 84.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.862 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -82.74 164.41 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 91' ' ' THR . . . . . 1.094 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -159.97 158.7 31.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.918 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.586 ' CE1' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m170 -80.3 -12.93 59.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.548 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -33.76 103.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 96' ' ' SER . . . 35.06 40.5 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.102 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -68.97 58.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 95' ' ' ALA . 0.7 OUTLIER 29.68 35.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.65 -128.33 5.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 12.7 t30 -98.99 1.22 45.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 1.102 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -62.72 179.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 28.7 m-85 -123.23 159.99 27.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.598 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 23.8 m -160.12 133.97 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -52.3 125.63 16.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -53.33 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 108.388 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 52.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.506 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.492 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -127.5 -7.15 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.794 ' CG ' HG21 ' A' ' 89' ' ' VAL . 79.1 m-85 -134.08 84.04 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.476 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 10.2 m -93.47 103.24 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.9 m -81.39 63.11 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.15 -54.61 1.08 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 p -131.45 52.74 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.898 HD22 ' CG ' ' A' ' 76' ' ' ASP . 4.4 m120 -141.37 -175.04 4.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.36 60.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 108.339 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.748 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -127.92 96.75 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.954 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.492 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 44.1 p -65.2 -178.14 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.4 p -52.11 -17.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -81.07 -30.17 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.712 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.07 -43.59 16.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.081 ' CG1' HD12 ' A' ' 86' ' ' LEU . 92.6 t -53.95 -48.52 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.559 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 41.6 t -37.17 -55.5 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.78 -49.73 27.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.91 -41.64 98.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.772 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 13.9 mt-30 -59.34 -55.68 31.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.77 -36.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.813 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.34 -52.77 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.597 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.61 -40.31 47.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.585 1.178 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 6.4 t80 -74.18 -71.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TYR . 41.9 tptt -35.32 -50.87 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.963 HD11 ' C ' ' A' ' 31' ' ' GLU . 11.2 tp -68.3 -35.95 78.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 20.0 t60 -65.89 -44.68 84.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.651 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.17 -28.47 69.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 7.6 m-20 -81.45 -19.43 42.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.48 22.92 76.69 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.963 ' C ' HD11 ' A' ' 26' ' ' LEU . 4.8 mm-40 -97.03 179.59 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.587 ' N ' HD11 ' A' ' 26' ' ' LEU . 67.1 p -134.82 175.39 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.9 HG13 ' CD2' ' A' ' 26' ' ' LEU . 4.5 m -131.87 162.36 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 51.44 -152.58 5.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -99.34 22.47 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.663 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -114.3 -165.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.228 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -120.55 40.37 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.663 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -94.25 150.05 37.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.603 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.08 -170.16 8.03 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.975 -2.511 . . . . 0.0 110.956 0.061 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.73 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.3 p80 179.18 170.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -47.66 168.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.697 ' O ' ' C ' ' A' ' 43' ' ' ASN . 37.9 t80 -151.15 12.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.697 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -8.03 87.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.779 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.8 p30 -58.63 170.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.13 -42.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -42.46 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 117.94 56.11 0.29 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.769 ' CE1' HG22 ' A' ' 90' ' ' ILE . 79.7 m-85 -103.62 132.11 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.75 72.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.91 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.3 m-30 -74.86 116.57 15.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.6 p -74.0 27.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.022 HG21 ' O ' ' A' ' 85' ' ' GLN . 13.1 m -133.91 147.57 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.374 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 54' ' ' SER . 58.1 m -88.69 134.97 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.914 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -43.55 172.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.967 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -75.07 151.07 96.35 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.078 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.589 ' CE2' ' ND2' ' A' ' 44' ' ' ASN . 25.6 m-85 -90.97 113.42 25.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.7 m-30 -97.03 124.87 41.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.73 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -89.85 134.24 34.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.799 ' HH2' HG11 ' A' ' 33' ' ' VAL . 59.1 t-105 -153.42 137.32 10.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.203 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 149.01 36.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.558 1.82 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.602 ' HB ' HG13 ' A' ' 78' ' ' VAL . 8.3 tt -113.68 123.17 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 68' ' ' TYR . 79.4 mt -90.6 116.76 28.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -53.11 -18.48 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.17 -16.77 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.72 33.47 21.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -109.63 -174.09 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.813 HG22 ' HB2' ' A' ' 22' ' ' ALA . 18.1 t -105.31 107.88 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 1.203 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 7.1 t80 -40.52 94.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.458 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 14.4 p -119.91 21.87 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.392 1.057 . . . . 0.0 110.002 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.513 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -101.83 -75.58 1.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 122.6 33.5 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.799 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -141.28 42.3 0.46 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.98 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.799 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -75.04 -101.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.971 ' C ' ' HE ' ' A' ' 77' ' ' ARG . . . 83.38 -83.18 1.62 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.719 ' O ' ' HG2' ' A' ' 77' ' ' ARG . . . -44.46 -103.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.972 ' O ' ' CD ' ' A' ' 77' ' ' ARG . 59.0 m-20 -58.46 127.03 30.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.972 ' CD ' ' O ' ' A' ' 76' ' ' ASP . 5.9 mmt180 -155.78 140.07 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.812 HG11 HG13 ' A' ' 16' ' ' VAL . 2.4 m -109.46 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.397 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.927 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.9 t -123.2 139.51 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -153.85 162.85 40.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.279 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.12 -112.15 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 1.279 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 35.7 tt0 -35.68 -62.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.192 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.7 OUTLIER -164.38 -78.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.919 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.59 21.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 1.428 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -81.28 27.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.161 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -24.26 117.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.927 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.26 -42.51 62.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.38 -139.08 5.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.426 1.079 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.973 HG12 ' SG ' ' A' ' 103' ' ' CYS . 89.7 t -147.16 91.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.774 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -85.76 165.79 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.12 158.0 24.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.613 ' H ' ' HA ' ' A' ' 75' ' ' ALA . 19.4 m170 -83.08 1.61 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.523 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -38.83 91.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.17 41.53 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.422 1.076 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.628 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -63.25 -9.37 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.709 ' C ' HD22 ' A' ' 99' ' ' ASN . 3.1 t 97.06 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.18 -131.43 9.05 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -95.22 3.4 54.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.709 HD22 ' C ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -64.39 159.69 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' A' ' 90' ' ' ILE . 11.9 m-85 -114.91 161.76 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.617 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.0 m -161.3 134.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -52.89 125.09 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.7 m -55.6 -164.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 -179.985 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.682 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -42.32 -27.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.809 ' CG ' HG21 ' A' ' 89' ' ' VAL . 70.2 m-85 -137.45 104.16 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.571 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -115.02 103.56 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.8 m -79.17 65.83 4.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.69 -46.01 3.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -161.77 47.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.78 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.6 -165.67 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.39 1.056 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.82 77.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 108.325 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.928 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.3 m-85 -91.41 43.68 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.842 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.1 p -24.91 148.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.9 p -37.49 -24.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 12' ' ' SER . 28.7 t -81.7 -23.91 36.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.928 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -81.84 -31.14 31.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.006 HG11 ' CD1' ' A' ' 86' ' ' LEU . 57.3 t -74.57 -63.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.526 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 3.9 t -38.94 -51.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -50.84 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.04 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.845 ' OE1' HG12 ' A' ' 16' ' ' VAL . 16.7 mt-30 -58.02 -54.68 44.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.11 -41.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.754 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -73.57 -50.97 18.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.591 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.86 -40.35 57.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.709 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.9 t80 -73.99 -73.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.26 -51.79 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.902 HD21 HG13 ' A' ' 33' ' ' VAL . 53.8 tp -67.15 -36.82 82.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 12.3 t60 -64.34 -43.87 93.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.625 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.19 -26.88 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 60.9 m-20 -78.91 -23.39 44.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.95 19.03 75.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.622 ' HB2' HD12 ' A' ' 26' ' ' LEU . 4.3 mm-40 -97.17 175.86 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.7 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 11.7 p -130.26 177.16 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.902 HG13 HD21 ' A' ' 26' ' ' LEU . 3.9 m -133.78 135.02 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 75.64 -145.65 33.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -97.96 -7.93 29.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.601 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -83.87 -166.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.9 p -123.43 41.3 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.7 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.3 m-85 -95.29 148.32 34.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.812 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.03 -173.15 11.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.916 -2.535 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.675 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 26.5 p80 179.78 171.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.63 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.515 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -54.22 168.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.917 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.771 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -160.29 -27.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.863 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 10.0 m120 52.52 -105.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 109.365 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.863 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 3.2 p30 152.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.805 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.43 -46.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.59 -19.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.03 56.32 0.46 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.602 1.189 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.864 ' CE1' HG22 ' A' ' 90' ' ' ILE . 85.3 m-85 -100.29 137.15 39.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.24 72.13 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.797 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.4 m-30 -77.1 101.83 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.6 p -71.74 33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.059 HG21 ' O ' ' A' ' 85' ' ' GLN . 22.2 m -137.23 149.56 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 54' ' ' SER . 3.4 m -85.97 130.84 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.841 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -42.37 171.29 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.992 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -74.88 153.16 99.02 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.982 -0.123 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 25.7 m-85 -94.2 111.76 23.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.904 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -94.48 147.26 23.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.7 pp20? -111.57 135.73 51.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.934 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 55.3 t-105 -154.41 143.81 15.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.934 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.02 152.29 40.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.546 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 15.2 tt -116.87 131.16 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.931 HD23 ' CE2' ' A' ' 68' ' ' TYR . 72.8 mt -94.5 122.86 37.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -61.51 -9.38 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.22 -11.66 37.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.82 34.29 27.94 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' C ' HD12 ' A' ' 62' ' ' LEU . 17.3 m-20 -114.77 -163.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 22' ' ' ALA . 10.4 t -114.18 124.16 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.931 ' CE2' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -72.43 102.88 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.951 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.588 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 31.6 p -98.96 -54.89 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.491 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -38.71 -41.84 1.31 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.66 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 85.6 34.88 12.6 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.792 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 46.3 t -125.71 42.63 0.8 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.754 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 15.48 91.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 140.68 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.629 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 13.0 m-20 -67.37 127.88 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.858 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -150.58 136.76 18.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.89 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -106.16 133.69 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.811 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.9 t -108.33 138.87 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.904 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -154.25 160.03 41.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.545 ' ND2' ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -99.18 -114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 1.346 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 0.8 OUTLIER -39.72 -60.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.197 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 0.9 OUTLIER -164.68 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.898 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.3 p30 -81.71 20.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 1.545 ' CG ' ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -81.01 36.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.006 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -30.01 114.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.811 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -79.37 -40.18 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.89 -143.31 8.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.92 HG12 ' SG ' ' A' ' 103' ' ' CYS . 36.8 t -147.35 91.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 0.794 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.864 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -83.73 163.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.855 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.74 158.68 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.401 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.745 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.5 m170 -90.44 -8.34 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.513 -179.935 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.09 -18.85 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.853 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -125.83 34.57 3.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.691 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -130.73 -44.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 77.03 55.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.428 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.37 -134.6 5.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.584 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 14.2 t-20 -93.57 -10.96 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 0.728 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.691 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -65.01 157.56 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.745 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -121.0 162.04 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.853 HG21 ' O ' ' A' ' 94' ' ' GLY . 32.7 m -161.21 134.08 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -56.5 123.46 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -55.52 -167.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.963 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.717 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER -135.15 -10.08 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.798 ' CB ' HG21 ' A' ' 89' ' ' VAL . 90.2 m-85 -129.23 95.72 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 9' ' ' ASN . 20.3 m -103.15 103.93 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.3 m -81.94 67.12 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.71 -54.75 0.96 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 p -132.46 53.73 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.469 0.747 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.824 HD22 ' CG ' ' A' ' 76' ' ' ASP . 5.3 m120 -141.03 -176.64 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.717 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -176.78 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 108.283 179.946 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.73 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -124.77 100.15 6.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.427 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 79.6 p -63.73 178.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.405 ' HB3' HD21 ' A' ' 86' ' ' LEU . 1.4 p -51.46 -17.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.28 -28.83 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.707 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.84 -41.49 17.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.033 HG11 HD13 ' A' ' 86' ' ' LEU . 98.2 t -55.28 -45.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.504 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 39.5 t -36.76 -50.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -50.42 -54.77 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -57.49 -41.9 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.69 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.7 mt-30 -57.94 -55.14 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.78 -36.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.979 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.92 -53.45 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.745 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.01 -40.5 43.41 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 8.8 t80 -72.76 -68.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -35.15 -55.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.894 HD11 ' C ' ' A' ' 31' ' ' GLU . 20.6 tp -64.41 -34.33 77.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.861 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 26.5 t60 -67.35 -49.95 61.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -55.48 -27.47 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.18 -16.9 34.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.91 26.93 73.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.894 ' C ' HD11 ' A' ' 26' ' ' LEU . 59.6 mm-40 -108.99 170.89 7.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.76 HG21 ' HA ' ' A' ' 37' ' ' SER . 81.4 p -122.09 173.49 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.022 HG11 ' HH2' ' A' ' 59' ' ' TRP . 16.5 m -104.59 123.11 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.833 ' O ' ' OG ' ' A' ' 35' ' ' SER . . . -11.69 85.28 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.943 ' CB ' ' N ' ' A' ' 71' ' ' GLY . 51.6 m 154.99 -140.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' SER . 9.6 m-20 -49.94 -154.85 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.76 ' HA ' HG21 ' A' ' 32' ' ' THR . 19.2 p -108.85 38.43 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.65 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -82.99 141.34 43.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.881 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.92 -177.62 21.0 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 31.7 p-80 -176.25 166.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.612 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -45.15 168.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.709 ' O ' ' C ' ' A' ' 43' ' ' ASN . 18.9 t80 -151.79 12.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.709 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.5 m-80 -5.88 88.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.8 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.4 p30 -60.05 176.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.8 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.07 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.964 179.94 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -42.37 -21.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 118.56 56.02 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.744 ' CE1' HG22 ' A' ' 90' ' ' ILE . 85.5 m-85 -100.32 132.21 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.84 69.62 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 1.014 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.2 m-30 -72.45 118.35 15.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -76.29 25.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.984 HG21 ' O ' ' A' ' 85' ' ' GLN . 6.4 m -131.94 147.23 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.501 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.2 m -85.87 135.82 33.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.817 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 5.9 p -39.94 166.39 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 1.075 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -74.98 178.11 36.1 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.069 -0.082 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.595 ' CE2' ' ND2' ' A' ' 44' ' ' ASN . 22.8 m-85 -117.92 107.81 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.975 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -95.02 123.31 38.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.7 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.5 pt-20 -93.45 125.93 38.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 1.11 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 32.4 t-105 -142.64 150.78 55.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 107.978 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 1.11 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.97 151.85 40.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.524 ' CD1' HG22 ' A' ' 16' ' ' VAL . 21.1 tt -119.27 113.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 68' ' ' TYR . 97.4 mt -84.23 118.77 24.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t -54.64 -14.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -87.64 -12.67 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.07 34.26 33.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -108.71 -170.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.22 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.979 HG22 ' HB2' ' A' ' 22' ' ' ALA . 39.6 t -114.17 112.05 38.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.683 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 10.3 t80 -41.79 158.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.451 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.5 p -98.36 -24.5 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.807 ' HA2' HG23 ' A' ' 33' ' ' VAL . . . 127.99 151.67 7.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.514 1.133 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.943 ' N ' ' CB ' ' A' ' 35' ' ' SER . . . 101.98 -138.79 14.09 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.645 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 52.9 m -90.27 99.33 1.87 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.962 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.3 Cg_endo -74.9 4.48 4.65 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' C ' HH12 ' A' ' 77' ' ' ARG . . . 110.74 -102.09 1.45 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.724 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -141.77 -40.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 0.723 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.824 ' CG ' HD22 ' A' ' 9' ' ' ASN . 3.7 m-20 -62.4 132.02 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.665 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 15.6 mmt-85 -150.8 146.73 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.772 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.63 134.94 54.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.991 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -111.61 134.76 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.975 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -152.34 162.68 40.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 1.271 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.77 -107.13 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 1.271 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 24.4 tt0 -38.14 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.139 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.8 OUTLIER -164.2 -77.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.92 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -86.68 23.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 1.418 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.54 29.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.033 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -27.53 114.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.946 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.014 ' HB1' ' CG ' ' A' ' 50' ' ' PHE . . . -70.62 -38.45 73.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.499 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 168.92 -136.32 4.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.985 HG12 ' SG ' ' A' ' 103' ' ' CYS . 89.2 t -147.41 90.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.775 HD13 ' CG2' ' A' ' 79' ' ' VAL . 2.1 pt -85.99 165.36 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.724 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -155.54 147.31 23.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 -179.923 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.801 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.3 m170 -69.96 8.78 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.596 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -46.25 72.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.801 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 66.61 -55.58 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.686 ' HB1' ' HB2' ' A' ' 99' ' ' ASN . . . 40.07 23.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 94' ' ' GLY . 6.9 t 70.27 18.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.072 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 148.34 -128.47 2.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 19.1 t30 -95.76 7.86 45.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.686 ' HB2' ' HB1' ' A' ' 95' ' ' ALA . 1.8 m120 -66.07 -159.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.781 ' O ' HG13 ' A' ' 101' ' ' VAL . 46.3 m-85 -141.99 165.78 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 100' ' ' PHE . 21.6 m -163.73 135.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.607 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.05 125.93 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.341 179.93 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.8 m -55.51 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.342 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -36.7 125.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -125.56 -10.38 6.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.728 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 86.9 m-85 -131.18 88.11 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 9' ' ' ASN . 7.4 m -99.17 107.93 20.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.114 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 12.4 m -84.11 64.63 8.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.36 -54.06 0.64 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p -130.56 54.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 0.796 . . . . 0.0 109.952 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.798 HD22 ' CG ' ' A' ' 76' ' ' ASP . 5.2 m120 -144.31 -175.09 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.61 61.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.777 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.82 97.23 4.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -63.15 179.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.495 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -50.85 -17.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -80.58 -30.29 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.66 -41.93 17.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.037 HG11 ' CD1' ' A' ' 86' ' ' LEU . 75.6 t -53.36 -51.14 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.525 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.3 t -35.7 -55.83 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.75 -50.55 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.03 -41.68 97.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.646 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.3 mt-30 -59.91 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -34.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.105 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.58 -56.55 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.587 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.55 -43.77 85.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.67 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 3.3 t80 -63.52 -63.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 21.2 tptm -38.78 -61.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.028 HD22 HG13 ' A' ' 33' ' ' VAL . 2.7 tp -57.84 -35.24 70.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.843 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.4 t60 -66.33 -51.05 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.75 -26.22 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -16.66 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.77 22.79 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' HD12 ' A' ' 26' ' ' LEU . 66.5 mm-40 -99.25 176.89 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.935 ' HA ' HD21 ' A' ' 26' ' ' LEU . 76.9 p -129.02 178.57 6.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.028 HG13 HD22 ' A' ' 26' ' ' LEU . 2.9 m -135.09 124.61 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.575 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 85.13 -149.77 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.1 p -95.85 -10.7 28.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -83.49 -163.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.6 p -126.44 46.17 2.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.7 m-85 -96.48 145.43 29.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.872 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -171.86 9.97 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.974 0.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.59 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.0 p80 -178.48 162.35 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' HD3' ' CG ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -44.12 155.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 12.0 t80 -144.4 10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.9 m-20 -7.94 88.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.785 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.8 p30 -51.11 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.785 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.46 -43.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -44.24 -20.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 119.11 54.91 0.27 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.3 m-85 -99.75 133.35 44.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.89 69.05 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.742 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 15.0 m-30 -75.75 102.68 5.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.9 p -71.42 29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.603 ' H ' ' C ' ' A' ' 50' ' ' PHE . 14.4 m -129.87 160.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.678 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.6 t -90.17 147.53 23.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.952 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.872 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -73.02 172.26 8.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.872 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.992 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.613 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-85 -98.18 128.19 44.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.0 m-30 -107.64 126.47 52.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 8.6 pt-20 -92.37 135.14 34.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.09 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 28.1 t-105 -146.74 149.86 37.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.09 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.97 151.93 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.413 1.744 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.91 HD12 ' CG1' ' A' ' 78' ' ' VAL . 9.3 tt -120.56 117.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 68' ' ' TYR . 88.2 mt -87.38 120.66 28.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -57.7 -10.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -90.03 -15.64 31.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.33 38.39 15.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -113.68 -172.73 2.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.105 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.0 t -109.46 108.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.74 ' OH ' ' N ' ' A' ' 72' ' ' SER . 17.5 t80 -43.73 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.429 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 30.3 p -162.37 52.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.648 ' O ' ' CE2' ' A' ' 68' ' ' TYR . . . -161.84 -167.85 22.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.498 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -101.18 -31.85 5.47 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 13.8 m -112.77 83.91 6.19 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.66 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.592 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 149.43 171.89 18.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.81 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -54.47 -45.24 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.798 ' CG ' HD22 ' A' ' 9' ' ' ASN . 7.6 m-20 -59.65 126.33 27.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.66 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -151.59 139.78 20.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.939 ' CG1' HG13 ' A' ' 16' ' ' VAL . 1.9 m -105.73 144.59 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.88 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -121.59 138.81 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.903 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -147.39 -161.64 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.723 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -133.35 -164.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.638 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.5 tt0 -92.79 19.8 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.741 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -106.74 -30.18 9.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 17.4 p-10 110.96 21.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.837 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 40.1 mt-30 -96.04 -175.09 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.037 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -128.96 127.16 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.88 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.7 -39.89 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.519 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 165.13 -137.82 4.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 103' ' ' CYS . 19.7 t -147.98 96.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.806 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -90.64 166.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.81 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.11 150.18 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.732 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.5 m170 -76.43 15.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.74 87.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 35.21 40.27 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.661 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.28 -13.06 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.1 t 99.59 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.008 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 122.04 -131.94 8.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 32.3 t30 -94.58 9.57 38.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.754 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.654 HD22 ' C ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -73.26 158.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.732 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -112.03 167.58 10.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.3 m -162.68 133.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -53.69 125.71 19.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.251 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.114 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.2 m -56.48 -168.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -32.38 124.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 108.301 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -128.96 -11.03 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.765 ' CB ' HG21 ' A' ' 89' ' ' VAL . 91.1 m-85 -130.17 91.28 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 111.046 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 9' ' ' ASN . 53.5 m -100.22 103.99 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 9.3 m -81.72 65.41 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.7 -55.09 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 12.2 p -130.55 54.52 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.787 ' O ' HG23 ' A' ' 5' ' ' THR . 1.0 OUTLIER -143.23 -176.23 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.728 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.97 101.26 6.49 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -62.72 178.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.461 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -51.89 -17.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.3 t -81.7 -29.39 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.74 -42.59 16.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.045 HG11 HD13 ' A' ' 86' ' ' LEU . 62.0 t -50.26 -50.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' VAL . 12.2 t -36.22 -53.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.81 -54.47 7.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.787 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.56 -41.71 86.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 11.0 mt-30 -59.48 -54.9 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -38.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.921 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.84 -53.14 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -56.37 -41.82 88.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.173 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.656 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 8.8 t80 -67.89 -67.23 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 24.1 tptm -42.15 -53.29 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.961 ' CD2' HG13 ' A' ' 33' ' ' VAL . 11.1 tp -62.9 -35.13 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.872 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.8 t60 -65.75 -47.01 76.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.618 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -62.93 -25.05 68.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.5 m-20 -84.49 -22.11 30.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 24.03 69.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.502 1.127 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.936 ' C ' HD11 ' A' ' 26' ' ' LEU . 24.3 mm-40 -100.91 176.8 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 0.795 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.9 p -128.01 -178.33 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.961 HG13 ' CD2' ' A' ' 26' ' ' LEU . 13.2 m -136.43 131.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 72.38 -149.87 44.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.2 p -97.66 14.24 27.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 0.0 109.943 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -102.76 -167.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -123.01 40.1 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -97.25 145.94 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.587 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.0 -171.58 9.59 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.962 0.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.616 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.3 p80 179.46 162.62 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.58 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.13 168.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.708 ' O ' ' C ' ' A' ' 43' ' ' ASN . 33.2 t80 -151.03 12.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.708 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.9 m120 -7.63 85.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 6.7 p30 -53.25 158.23 1.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.386 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -166.95 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.7 mm-40 -43.26 -21.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.69 57.18 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.695 ' CZ ' ' OH ' ' A' ' 42' ' ' TYR . 81.9 m-85 -100.02 133.24 44.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 0.816 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.45 74.59 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.749 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 18.2 m-30 -81.06 109.01 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -75.11 28.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.06 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' A' ' 50' ' ' PHE . 5.2 m -129.87 158.53 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.693 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 m -88.08 149.7 23.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.889 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -74.71 173.36 6.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.889 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.5 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.031 -0.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.7 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.1 m-85 -97.29 127.3 43.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.872 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 12.4 m-30 -107.9 123.82 49.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.9 pt-20 -92.34 128.95 38.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.018 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 25.2 t-105 -144.03 148.24 41.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.018 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.02 153.19 41.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.787 HG13 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tt -123.73 114.99 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 68' ' ' TYR . 60.6 mt -84.07 121.46 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -7.72 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -88.99 -20.01 24.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.41 8.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -112.64 -172.66 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.921 HG22 ' HB2' ' A' ' 22' ' ' ALA . 23.8 t -111.24 108.12 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.534 1.146 . . . . 0.0 109.198 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.894 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.4 t80 -40.13 138.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.595 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 18.3 p -149.29 60.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.605 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -159.84 -144.99 4.13 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.737 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.21 -31.85 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 74' ' ' GLY . 84.1 p -116.3 82.65 12.0 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.669 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 43.67 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.056 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 71.28 -97.48 0.68 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.692 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -154.01 -37.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.725 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.7 m-20 -59.51 132.33 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.725 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.6 mmt-85 -151.43 145.15 25.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.952 ' CG1' HG13 ' A' ' 16' ' ' VAL . 5.5 m -113.27 138.9 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 82.2 t -114.24 137.79 46.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.843 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.5 p90 -148.85 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.693 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -140.48 -171.32 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.656 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 11.1 tp10 -87.42 12.0 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.709 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -103.25 -23.23 13.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.182 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.6 p-10 103.65 24.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.628 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 32.7 mt-30 -106.34 133.36 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.045 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.3 131.84 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.17 -39.0 63.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 167.96 -137.08 4.4 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.98 HG12 ' SG ' ' A' ' 103' ' ' CYS . 86.1 t -148.39 90.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.833 HD13 ' CG2' ' A' ' 79' ' ' VAL . 1.6 pt -86.78 166.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.692 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -160.84 150.21 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.611 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.8 m170 -73.4 16.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.716 HG22 ' H ' ' A' ' 94' ' ' GLY . 98.6 m -58.71 -125.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.716 ' H ' HG22 ' A' ' 93' ' ' THR . . . -68.76 49.83 0.48 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -81.74 -31.01 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.9 t 80.5 36.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.053 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.61 -134.24 5.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.162 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 23.3 t30 -96.68 8.13 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' HB2' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -69.98 -165.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.708 ' O ' HG13 ' A' ' 101' ' ' VAL . 38.4 m-85 -141.25 166.18 25.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 100' ' ' PHE . 32.6 m -162.47 134.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.4 125.66 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.9 m -55.42 -165.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.64 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -106.87 60.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 108.312 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -39.59 -29.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.158 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.3 m-85 -139.25 109.32 6.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.547 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -118.28 106.15 12.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -80.72 66.5 6.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.3 -47.49 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.448 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.8 p -157.96 49.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.807 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -124.27 -166.8 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.64 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.46 76.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.333 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.888 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m-85 -90.67 50.78 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.798 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -27.76 152.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 p -39.15 -23.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.052 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.0 t -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.888 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -82.31 -22.28 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.158 HG21 ' CE2' ' A' ' 4' ' ' TYR . 42.9 t -76.46 -71.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.521 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -41.6 -54.02 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -49.51 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.603 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -60.76 -43.75 97.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.061 ' OE1' HG12 ' A' ' 16' ' ' VAL . 8.3 mt-30 -61.52 -58.95 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.88 -36.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.963 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.65 -53.2 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -56.26 -44.44 89.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.584 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.2 t80 -69.48 -63.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 0.769 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 23.0 tptm -34.73 -61.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.98 HD22 HG13 ' A' ' 33' ' ' VAL . 3.0 tp -58.57 -38.22 77.43 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.851 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.2 t60 -64.04 -49.36 72.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -59.31 -26.98 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -88.36 -16.12 33.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.78 22.31 74.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.523 ' HB2' HD12 ' A' ' 26' ' ' LEU . 65.5 mm-40 -99.57 176.06 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.885 ' HA ' HD21 ' A' ' 26' ' ' LEU . 79.1 p -126.76 -178.5 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.172 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.98 HG13 HD22 ' A' ' 26' ' ' LEU . 3.5 m -136.16 123.08 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.565 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 83.32 -148.91 25.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -96.15 -8.66 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.602 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -84.31 -163.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 39' ' ' PRO . 52.6 p -125.99 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -97.62 147.37 32.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.878 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -166.04 4.6 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.995 -0.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.644 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.3 p80 179.63 166.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -46.65 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 33.3 t80 -154.64 14.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -9.6 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 6.7 p30 -52.93 172.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.793 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 176.54 -43.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -44.75 -20.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.6 56.69 0.35 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.709 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 78.1 m-85 -100.46 132.01 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 69.08 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.985 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.7 m-30 -76.77 108.5 9.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -77.0 25.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.526 HG23 ' CE1' ' A' ' 56' ' ' TYR . 9.0 m -125.92 155.42 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.722 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 17.0 m -88.54 145.94 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.869 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -68.95 172.17 5.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.869 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 157.53 99.52 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.985 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.693 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.9 m-85 -98.06 129.35 44.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.914 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.5 m-30 -110.32 126.0 53.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.644 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.9 pp20? -87.24 140.46 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.943 ' O ' ' N ' ' A' ' 78' ' ' VAL . 55.1 t-105 -156.21 144.86 14.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.939 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 146.74 32.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.445 1.761 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.512 HG22 ' CB ' ' A' ' 76' ' ' ASP . 12.4 tt -114.56 116.66 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.612 1.195 . . . . 0.0 109.22 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 66' ' ' ASP . 21.8 mt -87.27 124.46 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.19 0.48 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -99.09 -14.47 19.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.15 39.8 9.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.753 ' HB2' HD13 ' A' ' 62' ' ' LEU . 2.3 m-20 -113.29 -172.08 2.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.963 HG22 ' HB2' ' A' ' 22' ' ' ALA . 6.6 t -117.55 105.06 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.939 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.5 t80 -43.49 91.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' VAL . 87.1 p -101.68 36.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.684 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -137.72 -162.55 9.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.669 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -111.22 -23.16 5.88 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.8 p -115.49 89.01 20.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.789 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.04 -49.7 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.457 1.767 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.64 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 148.24 -109.68 0.47 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.661 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -131.96 -40.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 0.812 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.669 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -64.51 137.7 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.789 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 18.4 mmt-85 -152.91 140.32 19.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.079 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -105.39 127.07 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.161 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.4 t -104.62 122.56 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.1 p90 -135.49 -160.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.722 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -135.9 -166.31 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.612 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 13.9 tt0 -89.03 6.34 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.71 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -96.95 -22.38 16.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.71 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.3 p-10 103.52 22.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.553 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 29.5 mt-30 -107.42 130.33 54.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.079 ' CD2' HG23 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -87.93 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.161 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -69.29 -45.07 70.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.758 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 175.77 -132.52 2.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.931 HG12 ' SG ' ' A' ' 103' ' ' CYS . 42.1 t -150.93 95.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.73 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.732 HD13 HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -87.26 170.22 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.722 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.13 147.29 12.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.163 . . . . 0.0 110.424 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.661 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -64.43 -1.17 1.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.577 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.514 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -80.95 169.86 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 33.96 40.84 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.944 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -116.23 150.54 37.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 0.808 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 t -87.82 32.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 149.24 -130.96 3.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 17.8 t30 -91.59 6.59 45.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.367 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.944 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 5.1 p-10 -63.51 -163.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.674 ' CD1' HG13 ' A' ' 90' ' ' ILE . 41.0 m-85 -139.04 166.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.643 HG13 ' O ' ' A' ' 100' ' ' PHE . 35.0 m -161.22 131.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.2 OUTLIER -54.8 124.72 17.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 69.6 m -56.1 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.726 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -163.47 121.25 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 108.314 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.458 ' N ' ' HB3' ' A' ' 12' ' ' SER . 1.0 OUTLIER -137.84 -4.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.832 ' CG ' HG21 ' A' ' 89' ' ' VAL . 90.1 m-85 -134.68 92.59 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 9' ' ' ASN . 9.6 m -98.87 104.54 16.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.9 m -81.46 62.92 5.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.7 -54.27 1.66 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.3 p -132.05 51.28 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 0.811 . . . . 0.0 110.044 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.797 HD22 ' CG ' ' A' ' 76' ' ' ASP . 4.0 m120 -140.58 -175.25 4.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.726 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.97 59.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.267 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.771 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -124.74 100.24 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.953 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.458 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 65.0 p -64.63 -179.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -52.42 -17.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.84 -30.65 32.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.076 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.703 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.92 -40.67 18.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.095 HG11 ' CD1' ' A' ' 86' ' ' LEU . 71.4 t -53.26 -52.13 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.444 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 8.6 t -36.59 -54.08 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.15 -52.77 14.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.816 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.45 -42.23 91.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.668 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.4 mt-30 -60.35 -57.5 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.06 -36.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.051 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -70.13 -56.31 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.566 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.04 -42.67 87.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.65 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.1 t80 -64.92 -63.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.98 -60.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.376 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.966 HD22 HG13 ' A' ' 33' ' ' VAL . 2.2 tp -58.1 -34.7 70.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 61.6 t60 -66.55 -51.98 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.588 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -57.11 -26.95 61.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -17.0 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.69 23.37 72.84 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.49 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.2 mm-40 -97.91 175.91 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 0.798 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.897 ' HA ' HD21 ' A' ' 26' ' ' LEU . 67.4 p -127.33 177.72 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.966 HG13 HD22 ' A' ' 26' ' ' LEU . 2.7 m -137.58 150.49 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.374 1.046 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 61.71 -156.6 35.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.063 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -97.27 32.2 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -127.42 -165.97 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.391 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.5 p -120.25 42.8 2.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.17 . . . . 0.0 110.02 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -95.1 150.6 37.92 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.868 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 -169.07 7.02 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.047 -0.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.531 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 21.5 p80 -177.94 168.92 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.519 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -48.1 169.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 26.3 t80 -154.43 13.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -9.3 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.777 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.1 p30 -51.9 168.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.777 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.37 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.17 -20.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.98 56.53 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.738 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.8 m-85 -101.41 132.63 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.26 70.13 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.85 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 17.3 m-30 -75.77 107.34 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.5 p -74.85 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.559 ' H ' ' C ' ' A' ' 50' ' ' PHE . 5.0 m -127.2 155.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.644 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.3 t -88.79 143.59 26.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.87 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -64.07 171.88 2.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.87 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 157.79 99.4 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.023 -0.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-30 -99.39 119.32 37.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.925 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -101.25 130.54 47.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -92.76 142.69 27.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.836 ' O ' ' N ' ' A' ' 78' ' ' VAL . 27.2 t-105 -161.39 141.14 7.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.173 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.11 148.97 35.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.816 HG13 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tt -118.43 116.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 68' ' ' TYR . 47.0 mt -81.88 122.03 27.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.2 p -57.62 -14.86 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.15 -18.48 46.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.04 12.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.16 -173.38 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.051 HG22 ' HB2' ' A' ' 22' ' ' ALA . 5.1 t -108.22 102.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.173 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -43.09 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.414 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 55.5 p -127.67 37.93 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -112.66 -65.19 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.91 17.29 6.93 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.738 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.4 m -141.68 45.86 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.738 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.792 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.883 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 23.87 93.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.857 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.71 -101.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.797 ' CG ' HD22 ' A' ' 9' ' ' ASN . 41.8 m-20 -71.01 129.37 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.883 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -151.33 133.4 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.974 ' CG1' HG13 ' A' ' 16' ' ' VAL . 4.2 m -107.32 122.95 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.958 ' O ' ' N ' ' A' ' 87' ' ' ALA . 75.5 t -96.09 136.17 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.925 ' O ' ' N ' ' A' ' 57' ' ' TYR . 8.6 p90 -147.17 -164.72 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.664 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.01 -171.71 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.689 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 22.8 tt0 -88.02 18.18 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.714 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -109.62 -23.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 10.0 p-10 105.33 23.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.646 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 35.1 mt-30 -106.5 133.55 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.095 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.47 132.5 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.19 -38.46 63.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.691 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 168.94 -144.45 8.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.978 HG12 ' SG ' ' A' ' 103' ' ' CYS . 84.5 t -143.28 91.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.738 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -86.36 165.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.857 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -159.19 146.24 17.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.643 ' CE1' ' CE1' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -65.09 -14.38 60.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.632 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -73.69 167.82 20.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 38.15 39.58 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.793 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -117.78 174.52 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 0.8 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.784 ' C ' HD22 ' A' ' 99' ' ' ASN . 10.8 t -105.17 45.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 129.34 -122.43 3.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 17.4 t30 -93.98 3.89 54.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.793 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -63.24 -175.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 101' ' ' VAL . 42.0 m-85 -129.76 163.98 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.06 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 100' ' ' PHE . 28.6 m -162.57 133.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -52.55 125.41 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.238 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.2 m -56.12 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.51 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -35.28 130.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.318 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.487 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -131.45 -7.12 3.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.734 ' CB ' HG21 ' A' ' 89' ' ' VAL . 78.4 m-85 -133.99 77.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.19 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.496 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -87.76 104.56 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.0 m -81.5 63.82 5.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.579 1.175 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.27 -54.42 0.62 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -129.96 52.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.785 HD22 ' CG ' ' A' ' 76' ' ' ASP . 5.4 m120 -143.14 -174.97 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.78 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -129.21 96.17 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 110.954 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 43.5 p -61.43 179.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.487 ' HB3' HD21 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -51.65 -17.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.032 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.8 t -82.02 -30.07 31.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.683 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.51 -40.31 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.997 HG11 HD13 ' A' ' 86' ' ' LEU . 96.4 t -56.45 -48.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.509 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.4 t -37.45 -52.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.65 -53.7 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -57.57 -42.96 84.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.509 ' CD ' ' HA ' ' A' ' 17' ' ' SER . 11.1 mt-30 -57.61 -55.79 30.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.55 -34.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.034 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.35 -55.88 6.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.54 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.29 -43.08 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.591 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.0 t80 -65.12 -63.54 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 8.6 tptp -39.16 -62.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.943 HD22 HG13 ' A' ' 33' ' ' VAL . 2.5 tp -56.56 -37.2 70.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.6 t60 -63.55 -49.6 72.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.58 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -59.7 -26.58 65.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -17.06 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.29 23.72 73.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.8 mm-40 -99.99 174.55 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.348 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.829 ' HA ' HD21 ' A' ' 26' ' ' LEU . 73.4 p -123.97 -178.42 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.943 HG13 HD22 ' A' ' 26' ' ' LEU . 2.2 m -140.68 133.55 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.433 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 77.1 -152.55 40.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -96.42 4.16 52.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.939 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.616 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -98.89 -163.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 p -124.77 45.92 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.949 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.616 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -97.71 148.33 34.29 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.84 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -171.59 9.61 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.046 -2.481 . . . . 0.0 111.013 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.636 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 -177.24 156.54 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.632 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -40.97 155.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.716 ' CE2' HD12 ' A' ' 90' ' ' ILE . 1.3 t80 -149.67 -37.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.827 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-20 57.55 -98.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 6.3 p30 152.24 175.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.34 -48.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.641 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.8 mm-40 -44.99 -18.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.497 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.58 55.59 0.45 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.48 1.113 . . . . 0.0 111.096 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.969 ' CE1' HG22 ' A' ' 90' ' ' ILE . 90.5 m-85 -99.27 135.17 41.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 63.9 2.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.832 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 13.6 m-30 -66.49 98.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -72.02 27.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.976 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.611 ' H ' ' C ' ' A' ' 50' ' ' PHE . 13.5 m -124.84 157.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.615 1.197 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.701 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.0 m -88.2 143.83 26.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.836 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -66.4 171.09 4.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.836 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.99 157.12 99.81 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.65 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.6 m-85 -98.88 115.99 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.919 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.4 m-30 -98.71 131.82 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.699 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 3.2 pt-20 -95.51 138.51 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.83 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 24.9 t-105 -154.66 145.42 16.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.2 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 149.02 36.09 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.596 HG13 ' HB2' ' A' ' 19' ' ' ALA . 5.1 tt -116.69 121.83 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 66' ' ' ASP . 56.9 mt -89.41 122.69 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -6.83 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.69 -17.03 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.23 36.88 10.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.616 ' HB2' HD13 ' A' ' 62' ' ' LEU . 2.1 m-20 -110.66 -169.51 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.034 HG22 ' HB2' ' A' ' 22' ' ' ALA . 8.6 t -114.18 105.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.2 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.8 t80 -46.45 102.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.407 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 59.9 p -116.04 44.06 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 1.056 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -155.15 129.41 2.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.459 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -50.7 -8.07 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.55 ' H ' ' C ' ' A' ' 70' ' ' GLY . 87.7 p -114.0 82.32 6.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.805 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.753 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.699 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 145.6 -108.5 0.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.569 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -131.48 -44.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.785 ' CG ' HD22 ' A' ' 9' ' ' ASN . 19.8 m-20 -62.47 132.71 53.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.717 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 12.1 mmt-85 -150.28 145.25 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -115.75 136.33 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.949 ' O ' ' N ' ' A' ' 87' ' ' ALA . 71.4 t -111.73 136.1 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.919 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.9 p90 -145.91 -162.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.701 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -136.1 -171.77 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.672 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 14.9 tt0 -87.68 17.17 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.706 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -108.67 -22.82 12.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.706 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.3 p-10 103.92 24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.624 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 29.2 mt-30 -106.95 133.6 51.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.997 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.08 131.78 34.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.949 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.46 -42.05 65.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.62 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 172.03 -143.17 7.31 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' SG ' ' A' ' 103' ' ' CYS . 88.0 t -144.64 91.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.969 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -87.07 166.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.629 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -163.05 153.45 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.645 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.7 m170 -76.31 13.37 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -48.12 88.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.355 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.39 41.51 0.1 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.638 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -59.52 -11.62 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.5 t 98.08 46.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.051 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 122.67 -130.04 7.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -95.85 4.76 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.623 HD22 ' C ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -67.56 162.47 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.739 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.0 m-85 -114.99 168.37 9.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.1 m -162.72 133.56 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -58.51 124.83 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.7 m -55.51 -164.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.103 . . . . 0.0 108.298 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.449 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.492 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -35.76 128.17 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 108.285 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' N ' ' HB2' ' A' ' 12' ' ' SER . 11.1 m-20 -129.38 -7.69 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.857 ' CG ' HG21 ' A' ' 89' ' ' VAL . 84.3 m-85 -133.93 88.04 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.47 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 6.1 m -95.86 105.74 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 30.1 m -82.36 61.8 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.73 -55.71 1.7 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 23.0 p -130.8 52.16 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.747 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.714 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.94 -174.5 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.07 61.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.745 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.05 98.19 5.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 13' ' ' SER . 1.2 t -63.59 179.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.502 ' N ' ' OG ' ' A' ' 12' ' ' SER . 1.6 p -50.84 -17.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -81.29 -30.46 33.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.725 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.01 -41.88 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.961 HG13 ' CG1' ' A' ' 78' ' ' VAL . 49.2 t -49.37 -49.68 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -40.66 -51.2 3.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.1 m -46.66 -58.48 3.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.838 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -55.81 -43.84 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.572 ' OE1' ' HB2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -58.38 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.9 -35.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.76 -53.45 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.383 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.588 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -57.3 -41.66 93.13 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.66 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 9.9 t80 -66.45 -67.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 56.0 tptt -43.07 -51.65 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.945 HD11 ' C ' ' A' ' 31' ' ' GLU . 11.8 tp -63.83 -35.17 79.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.859 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 48.8 t60 -65.84 -45.64 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.572 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.601 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.41 -23.8 66.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 13.4 m-20 -83.42 -23.09 32.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.22 22.46 68.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.945 ' C ' HD11 ' A' ' 26' ' ' LEU . 20.5 mm-40 -100.2 -179.24 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.57 ' N ' HD11 ' A' ' 26' ' ' LEU . 70.3 p -135.29 -179.65 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.877 HG13 ' CD2' ' A' ' 26' ' ' LEU . 4.4 m -136.38 137.05 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 70' ' ' GLY . . . 70.58 -152.55 50.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.573 1.17 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -97.95 23.67 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.622 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -114.72 -166.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . 7.1 p -122.71 40.69 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -94.64 145.81 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.588 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -75.09 -172.09 10.32 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.033 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.495 ' CE1' ' OE2' ' A' ' 58' ' ' GLU . 32.4 p80 178.98 167.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 17.1 tptm -45.47 161.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.707 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 29.5 t80 -146.13 11.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.704 ' C ' ' O ' ' A' ' 42' ' ' TYR . 6.0 m-80 -7.3 86.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.769 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.6 p30 -53.14 171.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.769 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.73 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -44.23 -20.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.57 56.08 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.774 ' CE1' HG22 ' A' ' 90' ' ' ILE . 83.9 m-85 -100.8 132.55 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.59 70.89 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.885 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 18.3 m-30 -76.84 106.5 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.6 p -74.6 27.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.958 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG11 ' O ' ' A' ' 86' ' ' LEU . 6.5 m -126.58 157.29 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.698 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 7.5 t -89.34 146.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.866 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -69.49 171.63 6.64 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.866 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.02 157.01 99.86 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.976 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.733 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.3 m-85 -98.87 126.65 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.859 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.2 m-30 -106.89 124.67 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 13.8 pt-20 -91.93 137.94 31.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.845 ' O ' ' N ' ' A' ' 78' ' ' VAL . 26.3 t-105 -155.77 144.71 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.032 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.023 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 145.8 31.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.838 HG13 ' HB2' ' A' ' 19' ' ' ALA . 2.4 tt -116.41 113.87 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 68' ' ' TYR . 65.4 mt -82.6 119.39 24.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -15.17 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -80.44 -19.38 46.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.1 33.93 11.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.45 -173.71 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 16.4 t -112.02 104.71 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.023 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.5 t80 -42.54 95.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.475 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.5 p -97.54 3.12 50.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.655 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -96.32 -158.81 31.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.761 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -145.5 28.54 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.66 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 60.2 p -147.01 50.98 1.04 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.66 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.05 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.95 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 8.08 99.64 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.841 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 157.24 -70.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.228 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.729 ' HB3' HG23 ' A' ' 61' ' ' ILE . 56.8 m-20 -114.58 131.8 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.95 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -151.42 140.82 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.961 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.1 m -113.39 123.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.913 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.7 t -96.08 134.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.849 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.4 p90 -147.25 -159.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.698 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -139.41 -172.41 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.684 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 6.6 tt0 -86.06 10.77 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.703 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -102.02 -23.62 14.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.703 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.5 p-10 103.92 23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.649 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 32.8 mt-30 -104.99 133.83 49.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.028 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -85.16 131.74 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.913 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.32 -43.33 57.14 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 175.28 -138.74 4.41 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.975 HG12 ' SG ' ' A' ' 103' ' ' CYS . 92.5 t -148.92 89.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.774 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.83 165.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.841 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 1.1 t -163.27 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.638 ' NE2' ' CE1' ' A' ' 100' ' ' PHE . 14.0 m-70 -92.11 -25.53 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.652 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -17.42 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.798 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -120.04 31.23 5.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.816 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -132.97 133.32 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.5 t -86.99 30.39 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.36 -132.66 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 32.0 t30 -94.66 -4.41 47.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.816 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 3.1 p-10 -64.82 173.02 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.647 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 27.2 m-85 -124.51 166.81 15.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 94' ' ' GLY . 21.0 m -161.78 135.15 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -54.11 126.67 23.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.27 -163.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.661 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -109.65 60.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 108.353 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.422 ' OD1' ' HA ' ' A' ' 12' ' ' SER . 6.8 m-20 -39.58 -29.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.076 ' CE2' HG21 ' A' ' 16' ' ' VAL . 76.6 m-85 -139.85 112.46 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.704 HG23 ' H ' ' A' ' 9' ' ' ASN . 2.2 m -121.49 106.19 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.8 m -80.29 68.03 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.63 -48.78 3.94 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.6 p -158.48 49.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.776 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.97 -166.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.8 t -171.65 77.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.898 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.1 m-85 -91.09 51.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.794 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -28.51 152.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.003 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.8 p -39.01 -23.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.8 t -80.36 -26.37 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.948 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -81.79 -22.17 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.076 HG21 ' CE2' ' A' ' 4' ' ' TYR . 13.1 t -74.18 -71.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 23.1 t -40.82 -53.55 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.87 -49.32 20.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.898 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -61.54 -44.5 96.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.019 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.3 mt-30 -61.87 -57.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.03 -41.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.999 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.58 -56.74 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.616 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.39 -43.05 65.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.637 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 2.8 t80 -67.06 -69.13 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -42.92 -54.29 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.011 HD21 HG13 ' A' ' 33' ' ' VAL . 58.3 tp -61.4 -33.25 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.852 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 38.5 t60 -68.88 -50.76 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -56.73 -25.41 54.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -85.5 -19.72 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.19 23.72 77.0 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HB2' HD12 ' A' ' 26' ' ' LEU . 44.7 mm-40 -98.42 175.32 6.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.466 0.744 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 80.3 p -128.76 179.37 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.011 HG13 HD21 ' A' ' 26' ' ' LEU . 5.0 m -136.11 128.76 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.53 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.14 -145.7 29.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.1 p -96.25 -14.67 22.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 110.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.575 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 3.1 m-20 -76.36 -165.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 5.3 p -125.9 42.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.59 144.59 28.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.814 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.93 -173.59 12.55 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.003 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.487 ' NE2' ' CD ' ' A' ' 58' ' ' GLU . 31.7 p80 179.12 154.72 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.467 1.104 . . . . 0.0 109.539 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' HIS . 7.7 ttpt -40.53 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.743 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -154.92 -28.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.819 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-20 49.35 -98.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.819 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 5.5 p30 153.86 173.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.99 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.1 mp0 -45.61 -18.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.66 55.75 0.45 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.844 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.0 m-85 -99.67 132.51 44.96 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.25 61.76 3.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.847 ' CD1' ' HB1' ' A' ' 87' ' ' ALA . 13.9 m-30 -65.15 100.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.22 22.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.631 HG23 ' HE1' ' A' ' 56' ' ' TYR . 16.1 m -122.74 161.91 23.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.025 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 64.8 m -83.6 175.79 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.878 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -102.69 172.27 4.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.878 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -75.0 158.88 98.73 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.972 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -96.87 123.17 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.861 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.5 m-30 -103.33 136.75 42.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -101.96 140.63 35.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.055 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 46.4 t-105 -155.58 148.41 18.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.055 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.11 150.75 38.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.032 ' HB ' HG12 ' A' ' 78' ' ' VAL . 10.1 tt -114.58 131.37 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.735 HD23 ' CE2' ' A' ' 68' ' ' TYR . 46.1 mt -96.52 122.53 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.8 t -68.29 7.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -109.64 -8.66 14.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 39.67 23.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.566 ' HB2' HD13 ' A' ' 62' ' ' LEU . 8.7 m-20 -120.68 -162.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.999 HG22 ' HB2' ' A' ' 22' ' ' ALA . 15.4 t -119.31 122.19 68.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.826 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -76.03 113.91 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.904 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 51.9 p -135.0 57.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 72' ' ' SER . . . -139.07 -5.15 1.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.53 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 78.27 -19.87 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 70' ' ' GLY . 3.8 m -114.42 78.7 4.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.826 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.95 -54.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.629 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.69 -107.02 0.44 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.58 1.175 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.815 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -128.2 -42.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 0.719 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.686 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.1 133.94 56.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.824 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 mmt-85 -152.0 142.25 22.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.054 HG23 HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -109.66 126.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.029 ' O ' ' N ' ' A' ' 87' ' ' ALA . 60.3 t -103.59 137.44 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.861 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -146.33 -158.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.025 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.15 -168.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.611 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 11.0 tt0 -89.64 15.25 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.723 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -105.93 -22.64 12.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.3 p-10 105.38 21.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.572 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 27.0 mt-30 -108.62 132.41 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.058 ' CD1' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -89.31 136.32 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.365 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.029 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -68.22 -44.37 75.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.653 ' O ' HD11 ' A' ' 86' ' ' LEU . . . 174.25 -132.93 2.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.913 HG12 ' SG ' ' A' ' 103' ' ' CYS . 44.7 t -149.97 93.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.844 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -86.05 171.06 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.698 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -165.21 151.14 9.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.815 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 8.2 m170 -79.43 12.93 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.4 m -48.23 84.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 33.72 35.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.881 ' C ' HD22 ' A' ' 99' ' ' ASN . . . -51.45 -36.81 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.718 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 13.3 t 136.84 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 117.2 -117.95 3.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 38.9 t30 -95.25 -9.67 32.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.881 HD22 ' C ' ' A' ' 95' ' ' ALA . 25.3 p-10 -61.03 150.84 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.769 ' CD1' HG13 ' A' ' 90' ' ' ILE . 21.3 m-85 -105.36 171.62 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.0 m -163.36 132.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -59.11 125.75 24.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 85.4 m -55.89 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 0.0 108.26 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.392 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.658 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -105.57 59.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 108.256 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -28.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.144 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.9 m-85 -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.57 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.0 m -118.39 102.45 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 25.3 m -78.78 66.22 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 108.335 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 -48.71 3.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -158.93 48.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.801 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.36 -167.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.658 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.6 t -171.87 76.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.894 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 15.9 m-85 -90.85 48.48 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.824 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -25.31 149.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 15.0 p -38.48 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.0 t -82.03 -24.73 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.894 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -81.86 -26.79 33.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.144 HG21 ' CE2' ' A' ' 4' ' ' TYR . 96.6 t -77.42 -69.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' VAL . 45.7 t -36.57 -51.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -48.7 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.015 ' OE1' HG12 ' A' ' 16' ' ' VAL . 14.7 mt-30 -59.43 -56.69 18.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.54 -39.92 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.055 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.56 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -54.62 -42.6 77.56 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.661 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.2 t80 -65.53 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.5 tptm -39.69 -59.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.99 HD22 HG13 ' A' ' 33' ' ' VAL . 2.7 tp -59.67 -33.74 71.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 51.6 t60 -67.44 -50.72 58.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.601 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.81 -26.1 63.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -18.91 25.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.11 66.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HB2' HD12 ' A' ' 26' ' ' LEU . 7.2 mm-40 -97.47 175.63 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.237 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.866 ' HA ' HD21 ' A' ' 26' ' ' LEU . 64.4 p -127.04 177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.99 HG13 HD22 ' A' ' 26' ' ' LEU . 2.5 m -139.59 134.74 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 78.87 -151.07 35.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -96.15 -6.51 38.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 0.763 . . . . 0.0 109.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.614 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -89.99 -163.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.2 p -124.16 46.49 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -95.19 147.53 33.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.876 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.98 -168.21 6.29 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.016 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.62 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.2 p80 179.93 163.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 15.8 ttpp -50.61 152.2 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.787 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -147.09 -32.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.848 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.6 m120 51.96 -96.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.848 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.8 p-10 153.03 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.361 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.44 -47.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.634 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 49.7 mt-10 -45.87 -19.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.09 55.33 0.41 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.897 ' CE1' HG22 ' A' ' 90' ' ' ILE . 95.7 m-85 -98.63 136.23 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.97 67.87 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.744 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.0 m-30 -73.52 97.84 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -73.14 29.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.74 HG23 ' HE1' ' A' ' 56' ' ' TYR . 16.5 m -127.14 159.53 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.651 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 15.7 t -87.54 144.09 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.949 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.868 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -68.85 172.0 5.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.05 159.17 98.35 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.946 0.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.74 ' HE1' HG23 ' A' ' 52' ' ' VAL . 20.3 m-85 -100.8 116.47 32.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.942 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.8 m-30 -98.6 137.45 37.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.62 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.9 pp20? -102.7 135.71 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.02 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 33.1 t-105 -149.02 148.07 25.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 107.96 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.02 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.609 HD11 ' HB3' ' A' ' 11' ' ' TYR . 15.6 tt -120.09 129.97 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.807 HD23 ' CE2' ' A' ' 68' ' ' TYR . 73.5 mt -95.59 123.22 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.5 m -64.7 -0.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -103.03 -8.37 20.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.79 40.62 30.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.474 ' C ' HD12 ' A' ' 62' ' ' LEU . 5.4 m-20 -121.41 -166.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.055 HG22 ' HB2' ' A' ' 22' ' ' ALA . 24.0 t -108.48 123.29 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.807 ' CE2' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -74.06 137.29 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.469 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.9 p -156.5 63.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.506 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . -138.49 -58.66 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.666 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 131.2 -20.15 4.77 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 38.3 t -120.02 61.49 7.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.766 ' HA ' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.99 48.52 2.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.773 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.98 -110.77 3.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.761 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -140.91 -30.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.643 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -62.17 126.83 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.643 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.1 mmt-85 -148.6 145.2 27.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.797 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -104.82 138.1 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.9 t -112.42 137.73 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.942 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.7 p90 -147.96 -163.93 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.696 ' ND2' ' HB2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -134.53 -172.68 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.661 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 8.9 tp10 -87.27 14.74 7.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -105.86 -23.96 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 9.3 p-10 105.93 24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.696 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 47.6 mt-30 -105.95 134.65 48.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.126 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -87.71 130.6 34.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.8 -35.25 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 159.22 -139.26 6.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' SG ' ' A' ' 103' ' ' CYS . 37.8 t -147.73 98.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.897 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -84.2 162.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.76 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -165.86 162.74 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.761 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 12.2 m170 -92.63 -5.63 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.83 -20.71 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.684 ' C ' HG21 ' A' ' 101' ' ' VAL . . . -132.2 38.07 1.95 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.723 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -127.65 -45.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.4 t 74.73 54.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.498 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.4 -134.98 5.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 21.8 t-20 -92.79 -11.24 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 0.809 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.723 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -63.61 160.44 16.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.4 m-85 -121.87 165.3 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 100' ' ' PHE . 30.2 m -163.78 134.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -57.21 121.66 10.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.5 m -54.32 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -164.64 77.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 108.309 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' HB2' ' OG ' ' A' ' 12' ' ' SER . 7.3 m-20 -65.16 -19.16 65.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.232 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.755 ' CG ' HG21 ' A' ' 89' ' ' VAL . 87.8 m-85 -122.85 145.54 48.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER -153.06 105.63 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.445 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.197 ' CB ' ' SG ' ' A' ' 103' ' ' CYS . 21.2 m -81.61 61.93 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 -55.37 1.03 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.4 p -128.2 53.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 0.765 . . . . 0.0 109.947 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.782 HD22 ' CG ' ' A' ' 76' ' ' ASP . 3.7 m120 -140.24 -175.13 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.24 66.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 108.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.76 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.91 100.03 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -61.98 -177.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -55.14 -15.81 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.6 t -82.48 -31.26 29.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.67 -37.79 24.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.039 HG11 HD12 ' A' ' 86' ' ' LEU . 67.9 t -58.29 -54.03 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.45 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -36.59 -53.71 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.35 -51.5 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.59 -42.26 98.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 10.0 mt-30 -58.48 -57.46 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.42 -35.6 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.036 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.2 -56.69 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.616 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.91 -43.29 87.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.675 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t80 -64.03 -62.88 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.954 HD22 HG13 ' A' ' 33' ' ' VAL . 3.4 tp -57.72 -34.02 69.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.9 t60 -66.62 -51.97 50.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -55.68 -27.79 52.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.62 -16.15 33.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.78 23.43 74.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.92 175.31 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.951 ' HA ' HD21 ' A' ' 26' ' ' LEU . 72.4 p -129.61 173.14 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.646 1.216 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.954 HG13 HD22 ' A' ' 26' ' ' LEU . 2.0 m -128.6 132.6 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.8 -152.86 39.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 m -94.01 -12.45 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.617 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -80.24 -162.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 90.6 p -126.13 47.94 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.947 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.617 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -100.55 143.66 26.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.864 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.96 -169.97 7.82 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.007 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.583 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 35.1 p80 -177.88 162.01 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.54 151.56 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.743 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.7 t80 -143.89 -38.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.84 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.2 m120 59.41 -100.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.84 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 4.4 p30 153.04 178.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 168.26 -46.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 111.068 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.601 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 9.3 mm-40 -47.29 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.87 53.63 0.48 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 90' ' ' ILE . 91.8 m-85 -97.29 135.17 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 68.5 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.785 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -74.63 94.23 2.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.1 p -69.98 31.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.645 HG23 ' HE1' ' A' ' 56' ' ' TYR . 12.6 m -129.28 159.48 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.66 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 24.6 m -87.64 146.41 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.864 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -70.29 171.76 7.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.864 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.95 158.86 98.73 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.996 0.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -100.16 116.94 33.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.898 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.7 m-30 -98.98 134.87 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.629 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.2 pt-20 -103.22 129.06 50.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.111 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 13.3 t-105 -142.79 151.78 57.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.111 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.664 ' HB ' HG13 ' A' ' 78' ' ' VAL . 2.6 tt -119.88 123.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 68' ' ' TYR . 96.0 mt -90.73 124.57 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -16.68 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -86.76 -19.93 28.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.05 31.99 18.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.17 -173.29 2.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.036 HG22 ' HB2' ' A' ' 22' ' ' ALA . 51.3 t -102.1 109.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.704 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 35.6 t80 -47.51 172.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.686 ' O ' ' N ' ' A' ' 34' ' ' GLY . 69.3 p -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.679 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . 131.06 149.33 6.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.519 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 110.56 -103.85 1.7 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.55 ' C ' ' OH ' ' A' ' 68' ' ' TYR . 52.3 p -112.6 81.34 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.787 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -74.99 51.79 2.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.67 -91.43 0.17 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.762 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -159.76 -38.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.782 ' CG ' HD22 ' A' ' 9' ' ' ASN . 9.8 m-20 -59.8 132.6 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.728 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 3.3 mmt-85 -152.17 147.0 25.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.937 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.4 m -115.89 134.94 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.887 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.0 t -109.61 138.83 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.898 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -148.76 -159.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.66 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.11 -171.91 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.675 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 7.8 tt0 -86.97 11.21 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.715 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -102.68 -24.09 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.715 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 9.5 p-10 105.03 23.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.656 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 34.3 mt-30 -104.96 134.68 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.075 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -84.69 132.77 34.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.21 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.887 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.88 -43.39 54.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 89' ' ' VAL . . . 172.26 -130.95 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.8 ' O ' ' N ' ' A' ' 103' ' ' CYS . 57.3 t -153.66 94.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.8 pt -89.89 167.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.762 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.3 150.98 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.425 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.634 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.0 m-70 -75.69 13.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.604 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -48.57 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.16 42.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.655 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.59 -11.58 3.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 0.82 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.666 ' C ' HD22 ' A' ' 99' ' ' ASN . 3.7 t 98.68 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 121.81 -131.82 8.66 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 29.8 t30 -95.1 11.72 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.666 HD22 ' C ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -75.07 164.29 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.785 ' O ' HG13 ' A' ' 101' ' ' VAL . 26.8 m-85 -116.92 166.97 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.785 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.7 m -163.98 138.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -50.15 129.31 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.197 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 12.3 m -53.63 -24.29 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 5' ' ' THR . 10.0 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.587 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -111.21 62.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' CYS . 70.5 m-20 -39.35 -29.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.094 ' CE2' HG21 ' A' ' 16' ' ' VAL . 75.3 m-85 -138.98 112.85 8.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER -121.2 109.29 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 0.0 110.42 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.6 m -82.63 63.04 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.63 -45.17 3.32 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -160.13 48.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.766 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.81 -165.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 46.7 t -173.06 78.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.898 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.9 51.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -28.13 152.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 p -38.92 -23.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -80.9 -26.17 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -81.8 -23.4 36.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.094 HG21 ' CE2' ' A' ' 4' ' ' TYR . 22.3 t -72.61 -70.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.419 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 5.2 t -39.55 -53.13 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.91 -49.22 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.789 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -60.53 -44.19 96.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.748 ' OE1' HG12 ' A' ' 16' ' ' VAL . 13.7 mt-30 -58.92 -56.5 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.46 -39.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.089 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.81 -55.61 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.531 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -55.03 -41.6 78.15 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.698 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.6 t80 -69.96 -66.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.568 0.805 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.4 tptp -43.48 -55.67 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.943 ' CD2' HG13 ' A' ' 33' ' ' VAL . 12.7 tp -60.5 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.858 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 40.9 t60 -66.65 -47.33 72.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.606 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.77 -24.54 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-20 -85.09 -23.81 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.74 23.11 70.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.932 ' C ' HD11 ' A' ' 26' ' ' LEU . 22.9 mm-40 -97.74 176.16 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 78.5 p -130.05 174.68 9.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.943 HG13 ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -137.07 133.61 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 78.89 -150.19 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.5 p -96.77 -5.16 39.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 0.736 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.604 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -87.76 -164.33 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . 22.1 p -124.05 43.43 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.5 m-85 -94.27 145.64 30.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.625 1.203 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -172.95 11.48 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.975 0.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.2 p80 176.76 162.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.657 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 2.0 tttp -43.38 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.758 ' CE2' HD12 ' A' ' 90' ' ' ILE . 32.7 t80 -151.93 13.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -9.01 87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 6.2 p30 -48.38 160.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -171.57 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.812 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 24.2 mt-10 -44.44 -20.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.175 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.88 54.85 0.39 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.711 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 87.4 m-85 -98.53 135.67 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.24 68.43 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.893 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.5 m-30 -75.96 106.72 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -76.4 25.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.649 HG23 ' CE1' ' A' ' 56' ' ' TYR . 15.4 m -125.01 156.65 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.74 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.6 t -88.03 148.24 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.879 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -73.06 172.84 7.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.879 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.99 158.12 99.2 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.99 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.689 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.2 m-85 -98.8 130.39 45.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.915 ' N ' ' O ' ' A' ' 80' ' ' PHE . 11.3 m-30 -110.29 121.16 44.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.622 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.23 132.1 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.129 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 31.0 t-105 -147.89 150.18 35.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.129 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 148.83 35.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 19' ' ' ALA . 11.9 tt -113.28 120.3 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 68' ' ' TYR . 62.0 mt -85.97 127.85 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -67.6 2.94 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -107.61 -11.17 15.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.18 41.41 17.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.534 ' C ' HD12 ' A' ' 62' ' ' LEU . 4.3 m-20 -126.56 -174.11 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.089 HG22 ' HB2' ' A' ' 22' ' ' ALA . 61.9 t -96.3 122.76 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.703 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 63.1 t80 -69.63 167.59 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.635 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 53.8 p -164.4 71.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.481 ' CA ' ' HA3' ' A' ' 34' ' ' GLY . . . -174.61 -154.91 11.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.672 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . -120.53 -23.21 2.9 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.577 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 8.4 p -112.63 70.01 1.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.846 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.1 Cg_endo -75.0 52.37 3.04 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.756 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 62.17 2.48 4.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 74' ' ' GLY . . . 93.39 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.69 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.03 135.57 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.607 1.192 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.796 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 2.9 mmt-85 -150.27 138.34 20.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.073 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -105.12 126.13 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.114 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -102.87 124.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.915 ' O ' ' N ' ' A' ' 57' ' ' TYR . 9.2 p90 -137.97 -161.45 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.74 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -134.54 -169.79 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.698 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 14.7 tt0 -88.19 13.29 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.722 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -104.13 -24.44 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 10.4 p-10 106.96 22.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.624 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 46.4 mt-30 -106.9 131.75 53.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.074 HD22 ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -89.52 135.44 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.114 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.5 -43.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.762 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 175.57 -129.51 1.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.805 HG12 ' SG ' ' A' ' 103' ' ' CYS . 54.7 t -157.17 92.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.831 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -88.27 176.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.608 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.65 146.29 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.701 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 9.8 m-70 -72.46 10.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.657 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.17 86.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.53 37.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.937 ' C ' HD22 ' A' ' 99' ' ' ASN . . . -50.94 -36.08 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 13.0 t 137.17 40.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.72 -118.68 4.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -95.03 -8.16 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.937 HD22 ' C ' ' A' ' 95' ' ' ALA . 26.9 p-10 -61.43 168.87 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.831 ' CD1' HG13 ' A' ' 90' ' ' ILE . 32.6 m-85 -120.64 172.23 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.062 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 100' ' ' PHE . 23.4 m -164.59 134.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.4 mt-10 -50.03 131.69 23.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 13.5 m -53.83 -28.95 38.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 5' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.494 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -36.28 129.0 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.487 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.5 OUTLIER -129.38 -7.73 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.824 ' CG ' HG21 ' A' ' 89' ' ' VAL . 81.7 m-85 -133.92 84.07 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.483 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.3 m -93.22 104.43 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -81.28 63.11 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.384 1.053 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.36 -53.59 0.86 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 p -131.53 51.32 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.834 HD22 ' CG ' ' A' ' 76' ' ' ASP . 4.1 m120 -141.37 -175.62 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.64 61.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.754 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.23 97.01 4.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.487 ' HB2' ' N ' ' A' ' 3' ' ' ASP . 3.2 t -64.69 179.54 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.477 ' N ' ' OG ' ' A' ' 12' ' ' SER . 5.3 p -51.09 -17.34 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.5 t -81.96 -29.87 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.679 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.48 -42.92 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.95 HG11 ' HG ' ' A' ' 86' ' ' LEU . 72.7 t -52.13 -51.4 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 12.2 t -35.35 -55.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.03 -50.62 35.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -62.58 -41.65 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.695 ' OE1' HG12 ' A' ' 16' ' ' VAL . 8.9 mt-30 -60.06 -55.96 27.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -37.33 -34.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.978 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.25 -55.78 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.626 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.24 -42.13 87.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.638 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.5 t80 -67.48 -61.8 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 0.716 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.0 tptp -38.83 -60.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.015 HD22 HG13 ' A' ' 33' ' ' VAL . 2.2 tp -59.82 -32.86 71.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.823 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 49.9 t60 -67.61 -53.08 31.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 109.576 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -55.62 -27.18 48.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.15 -17.24 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.97 73.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.33 175.57 6.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.984 ' HA ' HD21 ' A' ' 26' ' ' LEU . 24.3 p -129.43 171.89 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.015 HG13 HD22 ' A' ' 26' ' ' LEU . 2.3 m -125.6 134.3 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.66 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 75.65 -154.9 46.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 -14.97 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.692 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.3 m-20 -78.79 -158.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 30.8 p -128.88 52.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.692 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -104.56 142.88 25.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.84 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.92 -167.0 5.27 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.037 -0.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.6 p80 -179.34 163.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.6 155.24 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.717 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.3 t80 -148.85 -34.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.839 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.4 m-20 54.09 -96.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.839 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 5.8 p30 153.39 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.802 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.54 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.65 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 mt-10 -46.19 -18.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.19 54.99 0.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.903 ' CE1' HG22 ' A' ' 90' ' ' ILE . 88.2 m-85 -101.5 134.64 44.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.26 66.52 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -70.1 94.97 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.13 29.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.857 HG23 ' CE1' ' A' ' 56' ' ' TYR . 20.8 m -121.66 160.27 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.663 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.9 t -89.6 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.833 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -64.71 170.22 4.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.075 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.833 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.95 159.04 98.58 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.975 -2.511 . . . . 0.0 111.018 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.857 ' CE1' HG23 ' A' ' 52' ' ' VAL . 19.7 m-85 -99.95 117.14 33.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.918 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -98.73 131.44 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.643 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 11.9 pt-20 -101.64 130.21 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.935 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.5 t-105 -140.71 145.82 41.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.935 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 139.01 23.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.651 HG23 ' HB3' ' A' ' 76' ' ' ASP . 5.8 tt -112.55 113.51 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.85 HD21 ' HD1' ' A' ' 68' ' ' TYR . 54.6 mt -82.81 124.99 30.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -53.88 -21.4 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -15.77 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.18 34.5 29.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.59 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.978 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.1 t -102.38 103.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.85 ' HD1' HD21 ' A' ' 62' ' ' LEU . 36.8 t80 -42.32 144.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 60.2 p -98.22 27.23 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.74 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 67.74 158.38 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.504 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 135.11 -127.94 4.56 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -117.7 73.44 8.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.817 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.98 5.09 4.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.773 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -32.41 112.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.23 -56.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.834 ' CG ' HD22 ' A' ' 9' ' ' ASN . 66.9 m-20 -130.71 121.88 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.603 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 1.8 mmm-85 -148.05 139.21 23.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.915 ' CG1' HG13 ' A' ' 16' ' ' VAL . 2.4 m -110.27 131.2 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.934 ' O ' HD22 ' A' ' 86' ' ' LEU . 76.1 t -105.54 136.88 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -148.21 -165.42 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.792 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.48 -168.63 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.638 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 6.6 tp10 -89.09 27.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.792 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -112.67 -27.18 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.359 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 13.0 p-10 106.12 22.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.789 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 27.0 mt-30 -98.68 -173.52 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.95 ' HG ' HG11 ' A' ' 16' ' ' VAL . 1.2 tm? -132.93 128.25 36.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.901 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.97 -36.43 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.191 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.918 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 166.21 -142.13 7.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.961 HG12 ' SG ' ' A' ' 103' ' ' CYS . 83.2 t -147.49 89.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.903 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -83.68 165.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.714 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.63 153.73 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.639 ' NE2' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m-70 -78.83 -6.3 55.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -34.19 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.22 37.56 0.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.69 -15.45 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.64 ' HB3' HD22 ' A' ' 99' ' ' ASN . 3.1 t 96.94 41.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.63 -130.75 7.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -95.19 5.46 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.64 HD22 ' HB3' ' A' ' 96' ' ' SER . 0.3 OUTLIER -70.48 158.95 35.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 101' ' ' VAL . 17.1 m-85 -112.52 164.85 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 100' ' ' PHE . 33.8 m -161.64 134.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.364 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -56.52 124.49 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.5 m -54.91 -167.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.545 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -160.4 131.88 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 108.258 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.582 ' N ' ' OG ' ' A' ' 12' ' ' SER . 2.3 m-20 -129.72 -9.03 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.758 ' CG ' HG21 ' A' ' 89' ' ' VAL . 85.7 m-85 -132.07 72.05 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.468 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.7 m -83.11 103.71 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 16.8 m -80.88 61.26 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.324 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 -55.63 0.79 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 p -127.32 49.81 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 110.065 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.856 HD22 ' CG ' ' A' ' 76' ' ' ASP . 3.9 m120 -141.93 -175.78 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 1.5 t -176.95 61.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.777 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.5 97.85 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.062 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 3.7 m -61.16 179.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.949 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -16.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 t -82.63 -29.93 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.667 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -83.73 -40.12 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.699 HG11 ' HG ' ' A' ' 86' ' ' LEU . 96.9 t -56.56 -48.5 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.525 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -37.72 -53.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -46.95 -52.2 15.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.605 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.718 ' HG2' HG21 ' A' ' 78' ' ' VAL . 10.9 mt-30 -57.47 -56.2 25.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.47 -35.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.018 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.49 -56.82 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.617 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.52 -42.21 83.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.594 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 5.5 t80 -67.2 -63.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 22.3 tptm -38.94 -61.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.899 HD21 ' HA ' ' A' ' 32' ' ' THR . 3.0 tp -57.44 -36.65 71.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.837 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 62.2 t60 -64.16 -50.54 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.583 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.87 -29.02 64.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -86.34 -15.42 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.73 21.55 78.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.3 mm-40 -97.7 174.37 6.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.382 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.899 ' HA ' HD21 ' A' ' 26' ' ' LEU . 42.3 p -128.08 175.25 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.893 HG13 HD22 ' A' ' 26' ' ' LEU . 1.9 m -130.49 133.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 77.07 -155.47 44.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.41 -15.74 26.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.775 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -78.43 -155.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.49 ' H ' ' HB3' ' A' ' 36' ' ' ASN . 6.2 p -130.78 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.775 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.11 142.75 25.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.819 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -168.24 6.32 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.005 0.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.597 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 33.4 p80 -177.8 163.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.602 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.27 157.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.718 ' HE2' HD12 ' A' ' 90' ' ' ILE . 1.2 t80 -150.24 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.83 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.8 m-20 53.07 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.83 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 5.0 p30 153.64 176.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.806 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.39 -46.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.611 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.8 mm-40 -47.35 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.43 54.12 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.862 ' CE1' HG22 ' A' ' 90' ' ' ILE . 84.9 m-85 -99.45 133.59 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.31 65.72 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -71.15 95.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -72.24 29.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.068 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.827 HG23 ' CE1' ' A' ' 56' ' ' TYR . 18.8 m -121.98 160.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.672 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -91.11 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.817 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -63.42 169.24 4.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.817 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.03 158.54 98.9 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.965 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.827 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.4 m-85 -100.01 117.77 34.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.911 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.2 m-30 -99.31 133.03 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.642 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -102.93 130.4 49.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.938 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 23.9 t-105 -141.09 146.39 43.07 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.611 1.194 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.938 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.98 138.17 22.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.705 ' HB ' HG12 ' A' ' 78' ' ' VAL . 2.7 tt -110.67 116.18 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.859 HD21 ' HD1' ' A' ' 68' ' ' TYR . 65.9 mt -86.72 123.56 32.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.33 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -15.63 58.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 34.69 29.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.36 -178.0 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.018 HG22 ' HB2' ' A' ' 22' ' ' ALA . 29.4 t -103.33 103.0 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.859 ' HD1' HD21 ' A' ' 62' ' ' LEU . 39.3 t80 -43.09 146.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.687 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 32.9 p -99.12 28.11 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.71 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 63.66 156.5 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.465 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 139.13 -120.95 1.99 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.426 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -121.9 71.49 30.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.817 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.89 3.66 5.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -32.09 111.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.48 -57.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.203 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.856 ' CG ' HD22 ' A' ' 9' ' ' ASN . 63.8 m-20 -130.05 121.21 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.641 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 1.7 mmm-85 -146.8 144.9 29.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.102 HG23 HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -112.62 138.28 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.0 t -113.92 129.81 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.1 p90 -143.34 -163.67 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.768 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.29 -166.63 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.597 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 12.5 tt0 -90.5 23.22 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.768 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -109.07 -28.09 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 13.2 p-10 107.34 21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.779 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 32.1 mt-30 -96.83 -172.73 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.102 HD23 HG23 ' A' ' 78' ' ' VAL . 1.5 tm? -133.4 127.31 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.962 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.03 -35.28 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.896 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 165.33 -142.47 7.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.967 HG12 ' SG ' ' A' ' 103' ' ' CYS . 81.0 t -147.39 91.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.862 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -84.0 164.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.697 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -162.94 160.4 24.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.61 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.6 m-70 -85.96 -6.39 59.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -31.89 90.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.4 40.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.871 ' C ' HD22 ' A' ' 99' ' ' ASN . . . -60.41 -39.69 88.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 0.708 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.723 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 13.2 t 136.91 42.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.48 -118.58 4.69 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.437 1.085 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 47.1 t30 -94.73 -7.96 39.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.871 HD22 ' C ' ' A' ' 95' ' ' ALA . 19.9 p-10 -61.42 149.26 39.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.759 ' O ' HG13 ' A' ' 101' ' ' VAL . 16.6 m-85 -105.8 167.5 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.759 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.4 m -163.14 134.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -56.1 124.35 17.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.3 m -56.1 -162.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 108.285 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.075 . . . . 0.0 110.349 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.562 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -160.23 126.19 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 108.262 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.491 ' N ' ' OG ' ' A' ' 12' ' ' SER . 9.1 m-20 -118.88 -10.13 9.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.796 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 88.3 m-85 -131.98 81.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.525 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.6 m -93.29 104.19 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -80.48 62.57 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.265 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.76 -53.94 0.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.2 p -130.13 50.92 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 0.823 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.923 HD22 ' CG ' ' A' ' 76' ' ' ASP . 4.1 m120 -141.31 -176.18 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.562 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -176.49 62.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.318 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.801 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.35 97.55 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 0.9 OUTLIER -60.43 176.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.972 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -17.98 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.77 -29.37 32.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.54 -40.42 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.008 ' CG1' HD13 ' A' ' 86' ' ' LEU . 78.1 t -55.7 -51.71 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.461 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 33.9 t -37.1 -52.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.15 -52.88 18.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -58.7 -42.39 88.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HG2' HG21 ' A' ' 78' ' ' VAL . 13.8 mt-30 -57.01 -56.45 21.58 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.9 -37.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.014 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -68.25 -59.6 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.598 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.46 -37.98 68.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.731 ' OH ' ' C ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.56 -64.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptm -37.32 -62.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.028 HD22 HG13 ' A' ' 33' ' ' VAL . 2.0 tp -57.93 -35.72 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.2 t60 -65.89 -50.68 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.62 -26.64 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -16.97 29.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.215 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.94 22.18 72.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.416 1.073 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 7.3 mm-40 -98.24 176.13 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.996 ' HA ' HD21 ' A' ' 26' ' ' LEU . 20.7 p -129.6 168.01 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.028 HG13 HD22 ' A' ' 26' ' ' LEU . 1.3 m -124.15 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.749 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 80.65 -156.76 39.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -92.01 -13.46 30.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.698 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -82.01 -157.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 95.7 p -127.5 51.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.698 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -103.14 142.84 25.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.826 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.027 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.604 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.6 p80 -177.89 168.63 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.491 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.9 tppp? -54.3 156.05 3.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.723 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -149.29 -34.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.818 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.6 m-20 54.3 -99.49 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.818 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 4.4 p30 154.05 173.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 172.74 -46.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.949 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -47.02 -17.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.98 54.09 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.805 ' CE1' HG22 ' A' ' 90' ' ' ILE . 84.8 m-85 -99.16 130.43 45.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.55 63.65 4.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -67.84 93.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -68.31 29.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.691 HG23 ' HE1' ' A' ' 56' ' ' TYR . 6.8 m -127.2 157.67 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.625 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 60.8 m -87.59 141.75 28.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.868 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -65.6 172.01 3.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 159.58 97.78 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.691 ' HE1' HG23 ' A' ' 52' ' ' VAL . 20.7 m-85 -101.49 116.34 32.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.998 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -98.22 142.86 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.712 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.5 pp20? -106.08 142.42 35.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.937 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 34.8 t-105 -156.39 145.52 15.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 108.031 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.937 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 136.25 20.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 76' ' ' ASP . 5.8 tt -109.65 113.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.84 HD21 ' HD1' ' A' ' 68' ' ' TYR . 51.9 mt -85.9 124.59 32.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 p -55.59 -19.01 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -77.72 -17.5 57.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.25 37.88 20.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -112.15 -176.41 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.014 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.7 t -106.11 100.49 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.84 ' HD1' HD21 ' A' ' 62' ' ' LEU . 19.9 t80 -45.02 148.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.749 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 31.7 p -98.28 18.41 16.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.725 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 70.96 155.9 1.87 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.554 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 141.81 -118.44 1.32 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -121.02 67.78 16.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.948 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.812 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 6.14 3.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.784 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -33.61 112.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.62 -60.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.923 ' CG ' HD22 ' A' ' 9' ' ' ASN . 53.8 m-20 -125.96 121.17 32.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.644 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -145.77 144.93 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.858 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.49 138.3 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.415 1.072 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.2 t -114.88 134.36 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.998 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -147.31 -167.16 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.649 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -131.41 -172.15 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.731 ' C ' ' OH ' ' A' ' 24' ' ' TYR . 6.1 tt0 -88.18 13.64 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.71 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -103.81 -22.9 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.71 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 8.3 p-10 103.94 26.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.633 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 32.0 mt-30 -110.03 133.55 53.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.008 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.33 131.69 34.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.9 -39.31 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.619 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 166.03 -142.59 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.991 HG12 ' SG ' ' A' ' 103' ' ' CYS . 90.7 t -143.49 92.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.437 0.728 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.805 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.56 164.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.211 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.713 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -158.04 151.34 23.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.879 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.2 m-70 -77.19 -9.57 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.63 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -32.36 74.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.879 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 65.16 -58.69 0.09 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.032 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . 45.8 7.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 0.808 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.689 ' H ' ' C ' ' A' ' 94' ' ' GLY . 2.2 t 82.79 10.52 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.061 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 162.35 -138.28 5.3 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 11.3 t30 -94.53 -2.95 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.239 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 1.032 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 6.7 p30 -62.51 -169.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.818 ' O ' HG13 ' A' ' 101' ' ' VAL . 50.1 m-85 -129.09 166.39 19.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.818 HG13 ' O ' ' A' ' 100' ' ' PHE . 17.5 m -164.13 134.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -54.2 124.9 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.7 m -53.51 -171.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.646 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -102.77 62.17 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 108.341 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' OD1' ' HA ' ' A' ' 12' ' ' SER . 5.1 m-20 -41.49 -28.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.161 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.3 m-85 -141.33 113.91 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 9' ' ' ASN . 6.9 m -122.6 106.83 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 29.6 m -80.6 68.14 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.16 -48.66 3.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.597 1.186 . . . . 0.0 111.066 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -158.23 49.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.07 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.775 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -123.1 -166.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.2 t -171.96 78.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.879 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.44 53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 5.3 p -28.74 152.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 p -39.28 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.1 t -81.72 -25.69 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.879 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -83.08 -21.59 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.161 HG21 ' CE2' ' A' ' 4' ' ' TYR . 26.9 t -74.52 -71.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.471 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 15.5 t -41.46 -53.33 3.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -48.65 -48.64 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -59.51 -44.57 93.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.046 ' OE1' HG12 ' A' ' 16' ' ' VAL . 6.9 mt-30 -62.9 -58.24 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.57 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.069 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.03 -55.9 6.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.581 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.07 -44.34 94.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 4.2 t80 -65.33 -63.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.9 tptp -38.07 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.951 HD21 ' HA ' ' A' ' 32' ' ' THR . 4.8 tp -56.38 -36.77 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.836 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.0 t60 -63.85 -50.29 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.597 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -58.05 -27.77 63.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.05 -15.06 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.65 24.42 76.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 26' ' ' LEU . 12.2 mm-40 -101.86 176.88 5.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.951 ' HA ' HD21 ' A' ' 26' ' ' LEU . 74.8 p -129.03 176.57 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.941 HG13 HD22 ' A' ' 26' ' ' LEU . 2.4 m -130.15 129.98 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.69 -150.8 36.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.71 -10.47 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -80.87 -164.12 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 3.8 p -126.38 46.18 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.8 m-85 -99.21 144.19 27.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.891 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 -171.07 8.88 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.979 -0.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -177.33 157.98 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -46.11 150.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.738 ' HE2' HD12 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -142.67 -34.55 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.81 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.2 m-20 55.68 -96.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.81 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 6.4 p30 152.84 178.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.227 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 173.45 -47.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 7.2 mt-10 -47.29 -17.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.475 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.03 53.65 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.093 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.833 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 92.4 m-85 -96.2 133.05 40.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.32 61.43 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.833 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.1 m-30 -66.79 97.51 0.47 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.152 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.7 p -73.98 25.46 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.902 HG23 ' CE1' ' A' ' 56' ' ' TYR . 27.0 m -116.71 161.23 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.679 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.2 m -89.62 136.24 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.852 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.23 170.39 5.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.971 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.852 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.09 157.75 99.32 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.036 0.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.902 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.5 m-85 -97.89 121.39 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.907 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -101.26 133.09 46.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.601 1.188 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 6.9 pt-20 -100.54 135.85 41.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.4 t-105 -151.0 149.67 25.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 107.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 154.37 42.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.689 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.5 tt -119.29 115.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.758 HD11 ' HA ' ' A' ' 68' ' ' TYR . 89.7 mt -83.41 124.27 30.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.3 p -57.73 -12.14 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -91.89 -11.94 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.99 37.2 33.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -114.08 -174.11 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.069 HG22 ' HB2' ' A' ' 22' ' ' ALA . 50.0 t -100.27 109.53 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.822 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 22.9 t80 -43.85 170.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' C ' ' A' ' 33' ' ' VAL . 48.0 p -95.81 -52.5 4.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.694 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 143.08 151.2 5.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.651 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 94.09 -108.44 3.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.62 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.6 t -102.31 96.8 7.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.036 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.854 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.4 Cg_endo -74.95 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.561 1.822 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 76' ' ' ASP . . . 155.96 45.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.702 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . 68.19 -49.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.694 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.1 m-20 -56.66 128.23 35.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.854 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -151.24 136.53 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.082 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -101.96 130.94 50.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.009 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.1 t -106.76 129.0 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.907 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.4 p90 -143.01 -162.33 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.791 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -135.05 -164.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.568 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.18 21.1 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.247 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.791 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.18 -28.24 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.74 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 14.4 p-10 108.25 19.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.838 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 35.3 mt-30 -95.58 -173.33 2.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.082 ' CD2' HG23 ' A' ' 78' ' ' VAL . 1.5 tm? -136.7 128.12 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.009 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.41 -32.8 64.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.82 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 159.8 -147.24 14.14 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.896 HG12 ' SG ' ' A' ' 103' ' ' CYS . 45.6 t -139.14 92.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.779 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.29 167.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.681 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.98 143.74 12.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.353 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.702 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 5.3 m-70 -73.6 23.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -57.8 82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.09 37.2 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.768 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -69.64 -4.24 18.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.768 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 19.5 t 122.8 29.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 96.71 -93.1 1.44 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.448 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 8.2 t-20 -94.88 16.6 15.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.754 ' ND2' ' HB3' ' A' ' 96' ' ' SER . 4.5 m-20 -84.78 163.49 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.754 ' O ' HG13 ' A' ' 101' ' ' VAL . 25.1 m-85 -126.1 160.27 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 100' ' ' PHE . 24.0 m -162.92 132.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.609 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.47 122.18 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 82.0 m -53.9 -171.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.383 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.761 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -161.28 123.02 2.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.451 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -136.07 -7.99 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.777 ' CB ' HG21 ' A' ' 89' ' ' VAL . 88.3 m-85 -132.48 92.3 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 9' ' ' ASN . 16.2 m -100.45 107.85 19.68 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.135 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.2 m -84.18 65.18 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 -53.19 0.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.458 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -131.37 53.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 0.745 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.764 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.45 -176.01 4.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.761 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.14 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 0.0 108.253 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.717 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.66 100.46 6.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 58.5 p -64.11 179.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.92 -17.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -80.7 -30.6 36.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.717 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.29 -40.11 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.943 HG13 ' CG1' ' A' ' 78' ' ' VAL . 78.8 t -54.74 -51.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 43.6 t -36.21 -54.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.944 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.63 -50.46 24.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.453 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.0 -41.69 97.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.366 1.041 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 6.9 mt-30 -60.26 -59.43 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.95 -39.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.922 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -69.18 -57.12 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 27' ' ' HIS . . . -55.79 -47.94 75.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.672 ' CE2' ' OE1' ' A' ' 28' ' ' GLU . 6.4 t80 -53.74 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.5 tptp -41.44 -65.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.945 HD23 ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -55.53 -28.7 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.877 ' CD2' ' CD2' ' A' ' 57' ' ' TYR . 73.8 t60 -73.04 -52.86 12.79 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.672 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -55.34 -26.32 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.27 -13.14 55.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.13 21.28 79.25 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.616 ' HB2' HD12 ' A' ' 26' ' ' LEU . 69.0 mm-40 -106.56 169.44 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.607 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -131.54 157.78 42.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.874 ' HB ' ' C ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -72.61 122.57 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.642 ' O ' ' CB ' ' A' ' 35' ' ' SER . . . -46.41 104.36 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.424 1.077 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.849 ' HB2' ' CA ' ' A' ' 70' ' ' GLY . 2.7 m 147.64 -29.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.783 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.775 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 2.8 m-20 -152.4 -162.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.503 ' C ' ' CG2' ' A' ' 32' ' ' THR . 19.1 p -112.61 35.29 3.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.699 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.6 OUTLIER -97.78 144.92 28.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.945 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.89 -169.33 7.21 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.004 -0.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.584 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.0 p80 178.96 165.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 2.9 ttpm? -49.1 168.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.749 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 19.1 t80 -154.72 13.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.8 m120 -10.49 87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.791 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 5.1 p30 -47.47 168.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 178.73 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -45.87 -20.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.24 55.82 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.726 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 82.5 m-85 -100.89 133.08 45.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.37 71.23 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -79.28 104.96 10.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -75.5 26.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.547 ' H ' ' C ' ' A' ' 50' ' ' PHE . 16.3 m -124.12 161.92 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.731 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 75.1 m -88.52 153.37 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.864 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -83.27 171.29 11.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.075 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.864 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.95 159.65 97.69 Favored 'Cis proline' 0 C--N 1.359 1.083 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.956 0.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.658 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 23.2 m-85 -97.4 133.79 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.877 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 11.6 m-30 -113.19 130.18 56.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.606 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.6 pp20? -97.28 142.53 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 21.8 t-105 -155.53 149.11 18.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.0 148.75 35.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.73 HG13 ' HB2' ' A' ' 19' ' ' ALA . 7.2 tt -118.69 113.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 64' ' ' SER . 86.9 mt -83.51 116.51 22.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.6 p -54.42 -14.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -84.11 -14.62 49.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 33.44 25.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -108.87 -172.42 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.769 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 22' ' ' ALA . 32.7 t -114.6 114.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.766 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 5.1 t80 -40.02 164.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.874 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 27.4 p -114.56 -9.03 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.849 ' CA ' ' HB2' ' A' ' 35' ' ' SER . . . 121.19 178.96 16.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.794 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 72.43 -145.3 37.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.706 ' C ' ' OH ' ' A' ' 68' ' ' TYR . 28.8 m -89.8 106.52 14.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.953 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.09 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.577 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 119.3 -101.92 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.801 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -140.7 -43.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 0.818 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.715 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 5.0 m-20 -61.53 132.48 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.715 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 10.0 mmt-85 -153.25 146.97 25.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.943 ' CG1' HG13 ' A' ' 16' ' ' VAL . 5.1 m -113.83 135.35 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.881 ' O ' ' N ' ' A' ' 87' ' ' ALA . 70.6 t -111.58 137.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.851 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 5.8 p90 -145.81 -153.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.741 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -141.31 -163.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.598 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.26 17.06 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.741 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -104.8 -29.84 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.735 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 16.4 p-10 110.5 19.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.851 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 39.1 mt-30 -94.28 -176.64 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.241 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.069 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.42 127.0 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.881 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.22 -41.72 66.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.04 -135.17 3.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.839 HG12 ' SG ' ' A' ' 103' ' ' CYS . 47.0 t -150.75 92.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.796 HD13 ' CG2' ' A' ' 79' ' ' VAL . 2.0 pt -87.15 166.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.801 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.13 150.69 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.666 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.7 m170 -75.54 11.88 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -46.88 89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.96 42.4 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.65 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.22 -11.18 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 0.72 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.677 ' C ' HD22 ' A' ' 99' ' ' ASN . 3.6 t 98.18 47.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.87 -131.63 8.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.415 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 26.5 t30 -95.21 7.78 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.677 HD22 ' C ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -70.35 161.35 30.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.741 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.1 m-85 -114.27 167.01 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.0 m -162.86 133.9 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -55.37 125.29 20.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.135 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 99.5 m -55.34 -168.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.378 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.73 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -164.01 121.08 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.617 1.198 . . . . 0.0 108.34 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -137.57 -3.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.689 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 83.5 m-85 -137.32 91.5 2.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 9' ' ' ASN . 6.3 m -101.13 106.8 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 6.3 m -83.13 66.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.06 -52.34 0.56 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.438 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -132.22 52.76 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.796 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.87 -176.83 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.73 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -177.21 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.689 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.26 100.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.482 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 28.6 p -64.04 178.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -50.77 -17.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.043 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.0 t -81.09 -30.01 34.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -83.9 -39.45 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.724 HG11 ' HG ' ' A' ' 86' ' ' LEU . 92.0 t -58.74 -49.55 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.518 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 7.6 t -35.91 -52.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.965 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -51.93 31.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.579 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.83 -41.73 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.641 ' HG2' HG21 ' A' ' 78' ' ' VAL . 11.0 mt-30 -57.49 -54.68 44.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -35.57 -39.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.646 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.7 -49.4 21.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.578 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.17 -41.99 54.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -76.38 -66.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -37.19 -56.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.964 ' CD2' HG13 ' A' ' 33' ' ' VAL . 11.5 tp -62.59 -36.98 84.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 25.9 t60 -64.17 -45.33 88.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.523 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.65 -24.29 66.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 10.8 m-20 -83.91 -22.83 31.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.85 22.32 69.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.947 ' C ' HD11 ' A' ' 26' ' ' LEU . 5.2 mm-40 -101.2 175.16 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.523 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.7 p -126.59 -177.87 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.964 HG13 ' CD2' ' A' ' 26' ' ' LEU . 13.8 m -136.4 127.93 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.598 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 76.18 -144.45 30.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -97.03 -14.69 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.606 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -75.39 -165.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -125.4 43.24 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.056 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -97.84 147.34 32.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.63 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -169.91 7.79 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.987 -0.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.647 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.4 p80 177.94 162.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.622 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -47.44 163.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.861 ' CE2' HD12 ' A' ' 90' ' ' ILE . 2.3 t80 -154.84 -40.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.821 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 1.8 m-80 61.19 -95.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.821 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 6.9 p30 153.82 171.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.788 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.94 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.722 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.13 -19.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.76 52.95 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.6 m-85 -95.58 133.87 39.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.89 57.22 2.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.833 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -60.6 93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -71.62 24.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.907 HG23 ' CE1' ' A' ' 56' ' ' TYR . 22.3 m -114.75 160.95 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.694 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -89.31 139.32 30.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.822 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.6 p -68.93 169.62 10.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.822 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.98 159.53 97.88 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.037 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.907 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.3 m-85 -99.8 121.63 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.892 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.0 m-30 -100.54 130.98 46.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.729 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.6 pt-20 -99.76 132.32 45.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.004 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 39.1 t-105 -145.4 145.93 28.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.004 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.94 149.49 37.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.411 1.742 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.75 ' HB ' HG12 ' A' ' 78' ' ' VAL . 6.6 tt -117.77 118.8 59.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' A' ' 68' ' ' TYR . 88.6 mt -87.65 119.34 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -59.55 -9.83 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.21 -19.38 28.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.04 35.35 9.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.89 -172.57 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 22' ' ' ALA . 26.7 t -109.8 111.01 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.895 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 16.1 t80 -40.16 146.26 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.542 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 57.0 p -157.84 66.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.626 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -166.18 -143.54 3.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.687 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.7 -33.51 0.65 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 74' ' ' GLY . 13.0 p -116.22 82.93 12.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.039 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.645 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 43.66 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 72.28 -102.04 1.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.098 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.579 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -150.18 -36.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.646 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 4.4 m-20 -60.64 129.64 42.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.646 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 6.2 mmt-85 -147.96 143.31 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.017 HG23 HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -109.67 141.13 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.7 t -118.37 134.66 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.385 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.892 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -147.07 -161.09 1.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.744 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.81 -162.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.6 17.5 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.744 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -103.91 -30.77 10.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.734 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 15.6 p-10 109.85 20.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.758 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 35.3 mt-30 -92.48 -171.8 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.017 HD23 HG23 ' A' ' 78' ' ' VAL . 2.0 tm? -133.42 125.88 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.25 -31.84 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.769 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 157.52 -149.44 20.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.77 HG12 ' SG ' ' A' ' 103' ' ' CYS . 8.8 t -139.92 95.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.868 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -93.5 161.33 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.762 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -146.35 142.41 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.632 ' HA ' ' O ' ' A' ' 99' ' ' ASN . 7.3 m170 -60.81 17.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.762 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.2 m -85.54 172.62 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.45 63.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 99' ' ' ASN . . . -137.59 67.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.7 t -56.36 -13.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . -113.41 -87.15 1.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 1.299 ' O ' ' N ' ' A' ' 100' ' ' PHE . 31.5 t-20 -91.27 81.05 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.732 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 3.2 m-20 -26.34 52.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 1.299 ' N ' ' O ' ' A' ' 98' ' ' ASN . 16.8 m-85 -153.96 144.58 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.017 HG13 ' O ' ' A' ' 100' ' ' PHE . 3.7 m -169.82 130.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -47.03 112.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.5 m -53.99 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 5' ' ' THR . 67.0 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.404 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.576 ' H3 ' ' CB ' ' A' ' 12' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.615 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -168.03 137.7 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.89 -34.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.105 ' CE2' HG21 ' A' ' 16' ' ' VAL . 73.4 m-85 -121.23 127.33 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.837 HG23 ' O ' ' A' ' 9' ' ' ASN . 1.9 m -120.07 110.79 17.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.722 ' H ' ' HB2' ' A' ' 9' ' ' ASN . 21.1 m -85.79 62.86 7.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.2 -54.84 1.48 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 79.8 p -127.89 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.837 ' O ' HG23 ' A' ' 5' ' ' THR . 0.3 OUTLIER -144.96 -177.45 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -179.09 77.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 108.271 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CZ ' ' CB ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -94.25 126.73 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -73.79 158.73 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.0 p -43.27 -22.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.49 ' N ' ' C ' ' A' ' 12' ' ' SER . 32.4 t -80.17 -22.38 42.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.723 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -81.92 -22.95 36.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.105 HG21 ' CE2' ' A' ' 4' ' ' TYR . 19.2 t -75.04 -71.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.48 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -39.81 -55.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -46.64 11.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.616 ' CB ' HG21 ' A' ' 78' ' ' VAL . . . -61.94 -44.12 97.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.747 ' OE1' HG12 ' A' ' 16' ' ' VAL . 9.8 mt-30 -59.85 -58.14 9.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.35 -38.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.049 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.97 -50.82 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.649 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -54.2 -42.2 72.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.405 1.066 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -77.77 -63.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 111.041 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.8 tptp -34.71 -62.31 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.875 HD23 ' CD ' ' A' ' 39' ' ' PRO . 5.1 tp -58.65 -39.03 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.827 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 47.3 t60 -61.87 -48.46 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -61.26 -26.35 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.21 -19.06 27.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.24 23.63 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 22.6 mm-40 -99.52 171.53 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 0.806 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.726 ' CA ' HD21 ' A' ' 26' ' ' LEU . 71.3 p -124.11 -179.06 4.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.847 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.8 m -141.72 128.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.497 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 82.64 -147.93 25.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -96.61 -14.72 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.475 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -80.76 -164.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -123.78 44.19 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.2 m-30 -94.63 147.4 33.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.875 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -170.93 8.73 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.929 0.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 28.9 p80 179.23 169.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.662 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -52.14 159.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.789 ' HE2' HD12 ' A' ' 90' ' ' ILE . 1.4 t80 -154.29 -38.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.827 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.6 m-20 58.27 -95.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 7.1 p30 153.33 168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -177.06 -49.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.87 -19.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.08 54.25 0.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.894 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.6 m-85 -95.29 134.31 38.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 12.3 m-30 -64.0 93.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -73.01 24.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.786 HG23 ' CE1' ' A' ' 56' ' ' TYR . 18.4 m -116.16 160.9 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.667 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 t -89.24 138.91 31.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.857 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.53 171.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.857 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.04 159.17 98.36 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.987 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.786 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.4 m-85 -99.93 117.17 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.1 m-30 -98.98 135.07 40.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.603 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.3 pp20? -99.22 144.84 27.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.986 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 35.7 t-105 -160.97 147.03 11.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.986 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.09 156.22 42.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.428 1.752 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.707 HD12 HG11 ' A' ' 78' ' ' VAL . 18.7 tt -119.67 126.26 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 68' ' ' TYR . 65.6 mt -90.31 123.51 34.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -60.44 -7.95 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -96.63 -7.42 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.48 ' C ' HD12 ' A' ' 62' ' ' LEU . 2.6 m-20 -113.84 -164.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.049 HG22 ' HB2' ' A' ' 22' ' ' ALA . 24.0 t -110.61 123.69 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.029 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -73.69 139.54 45.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.0 p -111.36 -81.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.402 1.064 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . . . -33.26 150.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.497 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.12 -15.23 60.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -109.8 95.28 19.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.597 0.822 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 1.071 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -86.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 76' ' ' ASP . . . 173.5 60.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.56 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . 56.66 -51.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.836 ' N ' ' O ' ' A' ' 74' ' ' GLY . 5.2 m-20 -56.15 126.4 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 1.071 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -148.78 139.78 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.93 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -107.91 134.18 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -108.2 140.61 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.997 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 8.6 p90 -151.09 -164.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.773 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -134.31 -168.4 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.3 tt0 -89.56 18.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.773 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -103.42 -26.04 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 11.8 p-10 107.26 20.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.997 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 29.9 mt-30 -99.95 -178.08 3.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.044 HD13 HG13 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -131.31 131.11 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.868 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.03 -34.46 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.441 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 160.82 -152.48 23.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.15 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.953 HG12 ' SG ' ' A' ' 103' ' ' CYS . 50.1 t -132.52 92.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.894 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -84.48 163.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.793 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -154.95 141.66 18.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 99' ' ' ASN . 10.0 m170 -58.26 27.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.793 ' H ' ' C ' ' A' ' 91' ' ' THR . 2.9 m -92.29 168.94 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.52 63.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.786 ' HB3' ' HA ' ' A' ' 99' ' ' ASN . . . -135.08 68.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -56.88 -12.9 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.058 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -114.8 -85.43 1.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 1.284 ' O ' ' N ' ' A' ' 100' ' ' PHE . 27.0 t-20 -91.55 81.06 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.786 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 4.0 m-20 -26.68 52.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 1.284 ' N ' ' O ' ' A' ' 98' ' ' ASN . 15.9 m-85 -153.02 142.64 21.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 100' ' ' PHE . 3.6 m -168.53 130.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -47.88 112.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.953 ' SG ' HG12 ' A' ' 89' ' ' VAL . 62.8 m -53.37 -170.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.53 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -119.6 57.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 108.333 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -38.03 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.244 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.0 m-85 -137.96 114.25 10.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.689 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -123.82 107.2 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.0 m -82.42 64.96 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.15 -53.28 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 111.084 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -149.19 48.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.765 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.54 -168.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 43.6 t -172.05 74.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 108.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.874 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.0 m-85 -87.08 47.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -26.65 151.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 53.7 p -38.87 -23.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.058 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -81.93 -25.57 34.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.085 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.874 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.95 -22.3 29.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.244 HG21 ' CE2' ' A' ' 4' ' ' TYR . 39.5 t -75.07 -71.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.8 t -37.2 -50.74 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -47.72 -51.11 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -63.02 -42.41 99.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.184 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.869 ' OE1' HG12 ' A' ' 16' ' ' VAL . 4.9 mt-30 -58.96 -58.43 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.04 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.052 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -80.0 -50.14 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.68 -43.16 99.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -72.69 -62.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 0.82 . . . . 0.0 111.038 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 18.9 tptm -36.58 -61.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.894 HD22 ' CG1' ' A' ' 33' ' ' VAL . 2.6 tp -58.28 -37.34 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 60.5 t60 -64.23 -49.16 73.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.587 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.51 -25.74 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.57 -18.27 26.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.32 23.71 67.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HB2' HD12 ' A' ' 26' ' ' LEU . 15.0 mm-40 -99.02 173.76 6.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.808 ' HA ' HD21 ' A' ' 26' ' ' LEU . 82.6 p -124.31 -179.6 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.894 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.4 m -141.78 131.0 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.54 -154.51 38.34 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t -96.21 17.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.7 m-20 -113.71 -166.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.9 p -120.76 41.71 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.943 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.3 m-30 -93.97 147.78 34.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.078 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.86 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.05 -169.34 7.27 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.961 0.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.572 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 176.65 167.64 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.543 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -49.08 163.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.776 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 12.2 t80 -152.02 12.36 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.693 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -8.92 84.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.758 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 8.6 p30 -50.73 168.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.758 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.18 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 111.061 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.51 -20.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.504 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.39 55.46 0.36 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.802 ' CE1' HG22 ' A' ' 90' ' ' ILE . 83.2 m-85 -99.55 130.22 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.33 59.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 21.8 m-30 -58.78 113.23 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -61.42 0.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 1.082 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.71 HG22 ' CB ' ' A' ' 87' ' ' ALA . 15.6 m -111.47 151.19 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.228 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 36.1 t -86.97 172.25 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.766 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 17.4 p -79.82 164.08 55.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.773 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.05 172.97 60.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.932 0.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.8 m-30 -116.75 126.84 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.999 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.6 m-30 -112.72 118.25 34.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -78.63 137.73 37.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.893 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 51.0 t-105 -158.2 144.17 12.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.976 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 146.67 33.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.832 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 12.5 tt -112.84 120.86 63.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.811 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 41.7 mt -84.63 124.06 31.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 0.62 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -104.13 -7.14 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.62 38.91 42.36 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.524 1.14 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.617 ' HB2' HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -114.39 -161.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.257 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.052 HG22 ' HB2' ' A' ' 22' ' ' ALA . 13.1 t -117.21 120.5 65.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.976 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -71.01 108.36 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.524 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 3.7 p -108.22 37.11 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.58 156.27 26.17 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.489 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -77.37 -16.06 80.83 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -114.99 81.85 8.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.874 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -45.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 144.24 -118.59 1.18 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.694 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -117.67 -45.9 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.605 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 m-20 -60.87 126.61 28.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.74 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.94 144.99 29.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.863 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -109.8 157.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.33 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 73.0 t -137.9 89.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.999 ' O ' ' N ' ' A' ' 57' ' ' TYR . 15.8 p90 -100.2 -160.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.228 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -134.7 -165.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.685 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 11.3 tt0 -90.84 13.91 15.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -104.9 -22.45 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 8.5 p-10 105.87 20.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.619 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 28.3 mt-30 -105.89 115.69 30.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.049 HD13 HG13 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -99.01 146.25 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.01 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -154.5 -34.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 1.33 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -60.48 51.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.137 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -78.88 34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.914 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.83 175.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.731 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.95 154.12 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.0 m170 -85.31 4.13 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.662 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.41 -20.86 31.17 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.831 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -123.69 36.07 3.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.699 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -131.15 -44.36 1.03 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 0.793 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t 76.29 55.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 147.6 -134.77 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.534 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 20.0 t-20 -93.51 -9.81 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.699 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -65.81 159.06 26.15 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.914 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.0 m-85 -122.3 164.02 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.831 HG21 ' O ' ' A' ' 94' ' ' GLY . 34.5 m -162.3 125.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 103' ' ' CYS . 2.0 pt-20 -52.6 123.14 10.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 98.9 m -50.72 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 108.258 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.542 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -113.8 60.69 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.17 . . . . 0.0 108.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.17 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.262 ' CE2' HG21 ' A' ' 16' ' ' VAL . 97.0 m-85 -138.44 110.9 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.895 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.45 105.94 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.111 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.4 m -80.92 61.74 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.67 -46.18 3.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.7 p -155.19 47.03 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 0.0 110.047 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.741 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -124.78 -167.83 1.73 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 45.6 t -171.96 75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.849 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.9 m-85 -88.85 49.51 1.8 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.807 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -28.39 152.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.5 p -38.91 -22.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' SER . 22.2 t -82.45 -25.6 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.849 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.29 -20.82 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.262 HG21 ' CE2' ' A' ' 4' ' ' TYR . 36.2 t -74.89 -70.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.6 t -36.6 -44.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.069 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -54.34 30.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.83 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.5 -43.24 97.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.895 ' OE1' HG12 ' A' ' 16' ' ' VAL . 5.1 mt-30 -58.53 -58.02 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -31.93 -37.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.057 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -79.78 -53.83 6.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -57.57 -43.96 94.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.663 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 3.0 t80 -68.78 -65.62 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 0.786 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.9 tptm -45.27 -53.73 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.955 HD21 HG13 ' A' ' 33' ' ' VAL . 56.7 tp -61.56 -33.46 73.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.888 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 59.6 t60 -67.7 -49.71 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.551 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.609 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.37 -23.5 64.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-20 -84.65 -22.09 30.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.43 77.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.674 ' HB2' HD12 ' A' ' 26' ' ' LEU . 39.3 mm-40 -97.89 175.07 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 42.3 p -129.31 178.05 6.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.955 HG13 HD21 ' A' ' 26' ' ' LEU . 4.2 m -136.38 128.01 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.559 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.65 -152.44 37.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.581 1.175 . . . . 0.0 111.044 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -96.41 18.34 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.546 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -108.07 -167.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.9 p -122.84 38.3 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.4 m-85 -94.7 144.57 28.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.814 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 -174.44 14.14 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.917 -2.535 . . . . 0.0 111.02 -0.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.613 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 174.16 165.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.09 165.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.843 ' CD1' HG11 ' A' ' 79' ' ' VAL . 22.4 t80 -149.99 12.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.703 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.0 m120 -6.56 84.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.776 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 8.1 p30 -55.61 172.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.776 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.02 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.082 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.09 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.42 57.66 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.568 1.167 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.752 ' CE1' HG22 ' A' ' 90' ' ' ILE . 74.1 m-85 -102.7 130.6 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 59.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -57.73 115.35 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -61.4 1.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.725 HG22 ' CB ' ' A' ' 87' ' ' ALA . 14.0 m -114.29 149.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.172 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 8.4 t -88.36 168.6 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.823 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 76.1 p -72.33 163.37 67.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.823 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.94 173.0 60.1 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.042 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.633 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -118.47 124.84 48.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.985 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.9 m-30 -111.52 116.14 30.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.621 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 4.7 pt-20 -79.08 140.1 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.006 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 50.7 t-105 -161.5 146.61 10.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.187 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.027 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 143.57 28.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.835 ' HB ' HG12 ' A' ' 78' ' ' VAL . 12.7 tt -110.44 122.36 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.797 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 28.5 mt -88.35 120.9 30.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -63.21 -4.62 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -98.94 -5.73 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.02 37.66 56.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.656 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -111.95 -162.54 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.057 HG22 ' HB2' ' A' ' 22' ' ' ALA . 19.4 t -119.12 120.74 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.027 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 1.4 m-85 -71.32 103.15 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.585 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 92.1 p -101.62 37.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.08 161.24 28.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.559 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -82.03 -11.97 81.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.4 t -115.46 76.57 5.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.875 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.95 -39.93 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.688 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 144.51 -110.69 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.625 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -129.52 -41.46 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.589 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.08 129.84 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.817 ' O ' ' O ' ' A' ' 88' ' ' GLY . 21.5 mmt-85 -147.26 144.76 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.861 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 1.3 m -106.98 158.14 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.354 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 75.5 t -139.52 79.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.985 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -90.89 -163.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.172 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -131.51 -166.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.672 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -90.55 16.64 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.728 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -107.06 -24.34 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.728 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 11.5 p-10 108.43 20.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.629 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 46.8 mt-30 -107.19 119.01 38.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.063 HD21 HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -99.12 144.75 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.909 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -151.89 -35.85 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 1.354 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -62.16 52.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.12 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.9 t -80.94 33.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 0.79 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.91 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -65.21 175.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.727 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.79 152.9 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.0 m170 -75.19 10.45 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.26 89.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.21 42.84 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.646 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -61.33 -7.56 3.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.731 ' C ' HD22 ' A' ' 99' ' ' ASN . 4.2 t 99.66 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.97 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.83 -131.29 8.85 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 27.6 t30 -95.9 9.09 41.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.731 HD22 ' C ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -69.45 165.79 20.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.91 ' CD1' HG13 ' A' ' 90' ' ' ILE . 16.7 m-85 -118.92 165.23 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.714 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.9 m -162.56 126.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.708 ' C ' ' H ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -49.89 131.91 22.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.12 ' HB2' ' CG1' ' A' ' 89' ' ' VAL . 56.9 m -60.1 5.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.856 HG23 ' C ' ' A' ' 103' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -122.46 57.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.6 m-20 -37.47 -30.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.244 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.2 m-85 -138.31 114.53 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.726 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -124.73 107.22 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -82.33 64.65 7.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 108.306 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.8 -55.04 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.3 p -146.28 48.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -125.05 -169.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.0 t -172.17 74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.249 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.852 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.4 m-85 -87.39 47.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -27.26 152.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.6 p -39.39 -22.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.1 t -83.13 -24.76 32.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.852 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.96 -21.84 27.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.244 HG21 ' CE2' ' A' ' 4' ' ' TYR . 42.8 t -74.61 -71.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 21.0 t -36.87 -46.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.55 -53.17 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.34 -42.96 99.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.914 ' OE1' HG12 ' A' ' 16' ' ' VAL . 5.1 mt-30 -59.35 -58.9 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -32.96 -36.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.015 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.03 -55.1 6.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -59.49 -42.78 97.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.15 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.649 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.3 t80 -67.04 -61.24 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -41.48 -61.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.019 HD22 HG13 ' A' ' 33' ' ' VAL . 3.1 tp -57.27 -33.13 67.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 57.7 t60 -67.84 -51.78 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.541 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.624 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.4 -25.12 61.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 -18.47 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.73 24.25 70.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 26' ' ' LEU . 65.3 mm-40 -97.87 177.5 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.353 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.915 ' HA ' HD21 ' A' ' 26' ' ' LEU . 63.8 p -127.25 176.83 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.364 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.019 HG13 HD22 ' A' ' 26' ' ' LEU . 2.9 m -138.11 132.65 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.517 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.94 -148.88 30.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.448 1.093 . . . . 0.0 111.054 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.11 -8.58 29.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -87.77 -164.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -123.44 45.29 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.8 m-85 -94.09 147.85 34.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.916 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 -169.98 7.85 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.042 -2.483 . . . . 0.0 110.931 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.641 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 24.5 p80 -179.53 168.37 1.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 19.7 ttpt -54.17 158.82 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.721 ' CD1' HG11 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -155.2 -38.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 110.979 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.85 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 3.5 m-80 57.85 -97.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.85 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.4 p-10 150.63 170.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -175.97 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 29.5 mt-10 -45.92 -16.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 108.26 54.48 0.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.57 1.169 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.877 ' CE1' HG22 ' A' ' 90' ' ' ILE . 93.4 m-85 -94.2 131.92 39.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.95 56.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.704 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 17.3 m-30 -55.69 102.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.41 0.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.743 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.9 m -108.59 151.26 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.277 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 14.9 m -85.76 170.03 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.777 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 11.3 p -77.0 164.63 57.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.804 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.07 174.19 54.0 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.986 0.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.7 m-30 -118.41 112.48 20.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.029 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -100.74 123.06 44.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.641 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.6 pp20? -83.75 136.45 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.889 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 40.7 t-105 -157.44 145.98 14.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 108.01 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.015 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.9 ' HB ' HG12 ' A' ' 78' ' ' VAL . 9.3 tt -110.43 122.7 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.824 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 30.6 mt -90.1 119.97 30.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -4.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -100.2 -3.63 31.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.86 38.98 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.684 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -111.26 -163.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.015 HG22 ' HB2' ' A' ' 22' ' ' ALA . 17.0 t -118.45 119.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.015 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -72.34 128.93 37.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.551 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 p -155.39 65.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.4 -7.52 0.15 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.517 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 84.43 -27.07 4.8 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.67 82.25 6.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.987 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.975 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.542 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 143.67 -120.69 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.648 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -114.26 -44.91 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.612 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.5 m-20 -61.92 128.88 38.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.905 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.98 150.95 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.9 HG12 ' HB ' ' A' ' 61' ' ' ILE . 2.0 m -113.2 157.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.231 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 80.5 t -140.01 83.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 1.029 ' O ' ' N ' ' A' ' 57' ' ' TYR . 11.5 p90 -94.23 -166.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.277 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -129.68 -166.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.66 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.3 tt0 -89.22 18.67 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.733 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -109.85 -25.48 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.733 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 13.9 p-10 109.32 20.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.727 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 45.8 mt-30 -104.66 118.51 36.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.13 ' CD1' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -100.7 133.17 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.89 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -143.53 -16.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 1.231 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -74.37 45.69 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.179 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.6 t -76.05 33.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.893 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -67.16 174.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.669 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.54 154.6 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.648 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 11.6 m170 -75.6 10.82 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.41 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.85 42.37 0.05 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.653 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -62.13 -6.51 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.731 ' C ' HD22 ' A' ' 99' ' ' ASN . 4.4 t 99.63 47.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.046 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.58 -131.46 8.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 25.8 t30 -96.61 10.73 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.731 HD22 ' C ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -70.54 168.08 17.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.893 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.7 m-85 -120.49 164.93 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.698 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.0 m -162.25 124.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 2.2 pt-20 -52.12 122.52 8.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -49.93 179.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.529 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -118.18 60.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 108.35 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.2 m-20 -38.36 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.276 ' CE2' HG21 ' A' ' 16' ' ' VAL . 92.2 m-85 -139.56 113.28 8.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.127 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.55 105.58 10.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.075 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.7 m -79.2 62.58 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 108.264 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.22 -49.04 4.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -151.98 49.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.74 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -126.53 -167.5 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 40.1 t -172.91 75.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.819 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.1 m-85 -88.06 50.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -27.9 151.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 55.1 p -38.86 -22.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' SER . 32.0 t -82.62 -25.3 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.819 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -86.3 -18.54 31.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.276 HG21 ' CE2' ' A' ' 4' ' ' TYR . 55.4 t -80.72 -70.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.4 t -37.87 -45.9 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -55.22 18.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.433 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.516 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.86 -44.0 94.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.064 ' OE1' ' HB3' ' A' ' 80' ' ' PHE . 2.4 mt-30 -58.28 -56.1 26.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -34.28 -30.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.058 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -87.25 -49.32 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.99 -44.97 96.59 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -70.56 -61.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 10.6 tptt -37.96 -60.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.93 HD22 ' CG1' ' A' ' 33' ' ' VAL . 2.2 tp -58.52 -35.89 72.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 67.7 t60 -66.02 -50.62 63.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.98 -26.98 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 110.388 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.48 -16.6 32.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.72 71.9 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 66.3 mm-40 -98.74 173.62 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 0.72 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.882 ' HA ' HD21 ' A' ' 26' ' ' LEU . 20.8 p -127.09 176.76 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.93 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.3 m -129.38 128.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.34 -149.49 32.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -93.98 -16.66 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -77.26 -164.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' PRO . 19.5 p -125.21 47.28 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.7 m-85 -100.46 143.43 26.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.838 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -167.29 5.53 Favored 'Cis proline' 0 C--N 1.358 1.069 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 30.2 p80 176.57 172.45 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.506 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 2.0 tppm? -52.49 161.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.912 ' CD1' HG11 ' A' ' 79' ' ' VAL . 5.7 t80 -152.81 10.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -10.86 87.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.746 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 8.4 p30 -47.72 169.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.746 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.2 -43.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.59 -20.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.9 55.54 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.757 ' CE1' HG22 ' A' ' 90' ' ' ILE . 79.7 m-85 -101.27 131.71 47.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.27 60.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.648 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 18.3 m-30 -58.9 107.77 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -61.98 3.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.797 HG23 HD22 ' A' ' 81' ' ' ASN . 10.0 m -110.47 154.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.36 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 35.1 m -86.57 172.85 9.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.848 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -91.83 169.79 10.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.59 1.182 . . . . 0.0 110.039 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.848 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.96 156.51 99.91 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.98 -0.03 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.641 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.2 m-85 -96.54 132.95 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.896 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.1 m-30 -114.55 118.03 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.649 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -81.79 142.67 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.99 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.4 t-105 -162.8 145.82 8.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.99 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.11 141.22 26.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.087 HD12 HG11 ' A' ' 78' ' ' VAL . 9.5 tt -110.55 115.29 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 68' ' ' TYR . 73.1 mt -87.04 122.51 30.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 p -58.72 -13.4 5.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.21 -12.55 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.25 39.32 31.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.0 -173.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.058 HG22 ' HB2' ' A' ' 22' ' ' ALA . 44.4 t -108.38 108.12 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.776 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 20.6 t80 -44.44 167.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.703 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.1 p -98.04 -43.16 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.705 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 131.98 149.9 6.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.595 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 99.47 -105.85 3.1 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.715 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 50.5 p -107.45 91.13 6.63 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.554 0.797 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.776 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 -26.22 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.791 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.57 -107.5 0.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.596 1.185 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -135.78 -45.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -63.91 127.34 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.791 HH12 ' N ' ' A' ' 74' ' ' GLY . 13.4 mmt-85 -143.66 145.48 32.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.087 HG11 HD12 ' A' ' 61' ' ' ILE . 28.7 m -113.8 147.32 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.408 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.4 t -131.91 91.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 1.064 ' HB3' ' OE1' ' A' ' 20' ' ' GLN . 14.6 p90 -99.64 -158.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.36 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -136.0 -161.87 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -92.89 11.86 25.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.328 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.723 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -102.73 -23.45 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.5 p-10 104.77 20.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 26.1 mt-30 -105.85 124.54 49.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.093 HD13 HG13 ' A' ' 16' ' ' VAL . 1.1 tt -92.57 153.21 19.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.707 ' CB ' HG22 ' A' ' 52' ' ' VAL . . . -160.58 -37.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 1.408 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -70.65 49.72 0.82 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.2 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -80.25 31.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.931 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -63.04 178.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.681 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -163.38 152.79 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.673 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . 11.2 m170 -75.49 5.01 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -43.09 87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.39 39.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.936 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -70.24 79.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.433 ' CB ' HD22 ' A' ' 99' ' ' ASN . 1.7 t 44.95 18.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . 126.26 -112.44 1.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.443 ' OD1' ' CE1' ' A' ' 92' ' ' HIS . 15.9 t30 -96.9 1.8 50.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.936 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -61.94 164.7 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.931 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.1 m-85 -112.55 156.55 22.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 34.4 m -159.59 126.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.49 ' C ' ' N ' ' A' ' 104' ' ' THR . 0.1 OUTLIER -46.37 125.37 6.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.127 ' O ' ' O ' ' A' ' 5' ' ' THR . 52.6 m -55.49 -10.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.929 ' OG1' ' O ' ' A' ' 103' ' ' CYS . 18.3 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.402 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.517 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -120.73 59.34 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -39.97 -28.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.19 ' CE2' HG21 ' A' ' 16' ' ' VAL . 90.7 m-85 -139.48 112.27 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.714 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.2 m -123.76 105.84 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.4 m -81.03 65.34 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.11 -56.21 4.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.7 p -146.46 48.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 0.794 . . . . 0.0 110.069 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.45 -168.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 44.9 t -172.22 75.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 108.291 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.87 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-85 -88.32 48.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 15' ' ' ASP . 82.8 p -28.12 152.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.009 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.7 p -39.34 -22.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.9 t -82.68 -24.85 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.87 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.51 -22.88 30.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.19 HG21 ' CE2' ' A' ' 4' ' ' TYR . 50.0 t -75.58 -71.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.1 t -36.06 -45.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -53.27 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.761 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.67 -42.64 99.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.801 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.2 mt-30 -56.42 -58.13 9.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.25 -35.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -83.57 -44.23 14.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.656 ' O ' ' HG3' ' A' ' 39' ' ' PRO . . . -61.89 -44.39 97.91 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -73.51 -62.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.804 . . . . 0.0 111.027 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.2 tptp -37.97 -60.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.033 HD23 ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -59.73 -35.03 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.855 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.4 t60 -65.85 -50.88 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.86 -26.71 59.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.37 -18.5 29.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.81 24.04 75.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.626 ' HB2' HD12 ' A' ' 26' ' ' LEU . 7.4 mm-40 -102.04 175.45 5.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.653 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 50.6 p -123.82 -168.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.019 HG11 ' HH2' ' A' ' 59' ' ' TRP . 18.8 m -132.59 134.01 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.719 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.38 76.08 0.0 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.825 ' N ' ' O ' ' A' ' 33' ' ' VAL . 24.1 p 174.5 -113.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.714 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.1 m-20 -94.06 -164.8 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.543 ' HA ' HG21 ' A' ' 32' ' ' THR . 9.3 p -87.54 33.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.714 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.1 m-30 -79.69 145.81 63.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 1.033 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.94 -175.71 16.55 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.981 -0.078 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.5 p80 177.28 170.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.647 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.5 ttpt -46.53 165.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.426 1.079 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.7 ' O ' ' C ' ' A' ' 43' ' ' ASN . 29.4 t80 -150.31 11.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.7 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.6 m120 -6.72 80.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.684 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 9.5 p30 -51.76 160.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.684 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -162.38 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.678 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 12.2 mt-10 -40.15 -22.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.4 57.26 0.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.065 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.881 ' CE1' HG22 ' A' ' 90' ' ' ILE . 93.6 m-85 -100.34 135.91 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.8 58.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.3 m-30 -56.63 117.08 3.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -63.01 -0.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.639 HG22 ' CB ' ' A' ' 87' ' ' ALA . 15.8 m -110.45 150.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.154 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 33.7 t -88.3 168.38 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.055 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.796 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -75.98 166.87 41.65 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.796 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.07 160.09 96.99 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 0.097 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.772 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 17.0 m-30 -105.54 123.85 48.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.928 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.9 m-30 -107.39 120.44 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.673 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.4 pp20? -78.16 137.92 38.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.019 ' HH2' HG11 ' A' ' 33' ' ' VAL . 62.8 t-105 -165.19 140.01 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 107.976 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.11 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 155.7 42.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.931 HD12 HG11 ' A' ' 78' ' ' VAL . 14.5 tt -121.18 122.92 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' A' ' 66' ' ' ASP . 17.6 mt -92.18 122.58 34.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -66.83 -4.94 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.94 -13.75 28.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 37.3 13.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.824 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -108.83 -169.3 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 6.7 t -119.49 106.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.11 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 17.9 t80 -42.7 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 p -96.24 -52.64 3.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -71.05 -148.69 0.54 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.742 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -135.74 34.62 2.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.525 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 5.6 p -133.84 58.55 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.427 0.722 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.665 ' CB ' ' CB ' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.03 43.15 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 57.29 -93.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -154.26 -29.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.486 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -64.97 131.3 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 17.0 mmt-85 -143.53 141.49 30.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.056 ' CB ' HD11 ' A' ' 86' ' ' LEU . 5.5 m -113.53 150.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.39 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.292 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 92.5 t -130.97 116.75 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.7 p90 -122.28 -155.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.154 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -139.38 -165.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.676 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.7 tt0 -90.31 6.59 42.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.724 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -97.5 -24.08 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.724 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 10.3 p-10 107.01 20.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.574 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 30.3 mt-30 -105.04 112.52 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.056 HD11 ' CB ' ' A' ' 78' ' ' VAL . 2.0 tt -98.5 149.88 22.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.041 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -157.38 -40.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 1.292 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.35 55.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.178 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -82.14 35.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.887 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -66.99 176.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.653 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -165.32 152.57 10.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.818 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 12.5 m-70 -74.89 11.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.93 88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.439 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.33 42.61 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.648 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.63 -9.19 3.53 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.676 ' C ' HD22 ' A' ' 99' ' ' ASN . 4.4 t 99.62 47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.0 -131.16 8.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 26.1 t30 -95.9 5.89 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.676 HD22 ' C ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -68.22 162.76 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.887 ' CD1' HG13 ' A' ' 90' ' ' ILE . 19.0 m-85 -116.63 166.93 11.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.727 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.1 m -161.86 125.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -54.57 123.36 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 95.4 m -50.0 177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.451 ' C ' ' H ' ' A' ' 5' ' ' THR . 70.8 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.495 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -34.23 127.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.27 -179.939 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -128.08 -7.23 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.763 ' CB ' HG21 ' A' ' 89' ' ' VAL . 78.0 m-85 -134.57 87.52 2.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' ASN . 19.6 m -97.22 103.93 15.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 14.1 m -81.45 64.67 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.86 -54.79 0.99 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.2 p -131.69 54.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.035 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.844 HD22 ' CG ' ' A' ' 76' ' ' ASP . 5.4 m120 -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.489 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.38 60.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 108.253 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.728 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -128.78 96.82 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 15.2 p -62.09 177.97 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -17.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -81.98 -29.95 31.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.685 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.2 -40.14 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.004 HG11 HD12 ' A' ' 86' ' ' LEU . 91.1 t -58.23 -46.34 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.539 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 35.8 t -36.21 -50.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.01 -51.98 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.47 -42.13 91.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.539 ' OE1' ' HA ' ' A' ' 17' ' ' SER . 9.5 mt-30 -59.92 -55.14 37.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.02 -40.66 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -61.42 -62.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.77 -41.57 96.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.434 1.084 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 1.156 ' CE1' ' HA ' ' A' ' 83' ' ' ASN . 1.6 m-85 -54.73 -60.73 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -43.07 -50.22 6.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.049 HD22 HG13 ' A' ' 33' ' ' VAL . 10.5 tp -65.28 -34.16 77.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.783 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 54.9 t60 -65.93 -50.8 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.57 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.22 -25.1 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -92.8 -21.85 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.19 30.14 57.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.546 ' HB2' HD12 ' A' ' 26' ' ' LEU . 59.1 mm-40 -109.13 -178.7 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.93 ' HA ' HD21 ' A' ' 26' ' ' LEU . 27.8 p -120.9 -178.04 3.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.049 HG13 HD22 ' A' ' 26' ' ' LEU . 27.6 m -123.15 118.44 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 33' ' ' VAL . . . -2.95 62.25 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 33' ' ' VAL . 79.2 p 176.35 -148.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.726 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.5 m-20 -52.16 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 39' ' ' PRO . 66.5 p -91.75 35.08 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.726 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -80.66 143.33 54.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 1.004 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 -179.83 28.07 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.985 0.004 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.586 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.7 p80 -170.11 169.01 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.498 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 23.6 ttpt -51.43 166.31 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.739 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -159.27 -24.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.871 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 11.7 m-80 49.5 -104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.871 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.6 p-10 152.16 178.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 167.78 -45.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.936 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.62 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.1 -18.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 110.74 54.58 0.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.831 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.4 m-85 -97.33 134.49 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 0.746 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 67.05 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.828 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 15.7 m-30 -70.71 105.52 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.0 p -73.72 24.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.074 HG21 ' O ' ' A' ' 85' ' ' GLN . 30.5 m -129.92 161.22 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.839 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 4.6 m -93.33 154.46 17.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.826 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -69.72 171.4 7.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.826 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.0 Cg_endo -75.07 151.35 96.71 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.951 0.081 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.584 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 17.3 m-85 -90.53 112.67 24.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.847 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 13.5 m-30 -95.3 136.0 36.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.64 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -98.29 147.07 25.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.977 ' HH2' HG11 ' A' ' 33' ' ' VAL . 52.2 t-105 -164.32 146.41 7.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.936 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.04 153.05 41.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.538 1.809 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.613 ' CD1' HG22 ' A' ' 16' ' ' VAL . 13.4 tt -121.3 115.96 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.896 HD13 ' HB2' ' A' ' 66' ' ' ASP . 13.5 mt -88.1 119.07 28.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -3.99 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.51 -14.38 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.0 11.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.896 ' HB2' HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -107.02 -169.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 3.5 t -126.33 103.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.936 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 25.5 t80 -45.3 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 26.2 p -89.16 -38.19 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.665 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -84.72 -150.81 12.49 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.725 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -124.76 25.41 5.88 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -125.83 66.73 58.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.707 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.7 Cg_endo -74.9 -92.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 158.09 169.11 21.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.65 -45.92 7.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.844 ' CG ' HD22 ' A' ' 9' ' ' ASN . 18.1 m-20 -60.25 127.96 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.707 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -147.24 150.78 35.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.746 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -117.77 141.36 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.117 ' O ' ' N ' ' A' ' 87' ' ' ALA . 69.3 t -125.45 129.84 72.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 1.027 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 3.8 p90 -132.57 -160.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.178 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 2.0 p-10 -149.32 -121.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 1.178 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 51.1 tt0 -33.18 -95.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.156 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 3.5 p30 -158.71 85.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.8 ' N ' ' CZ ' ' A' ' 24' ' ' TYR . 1.9 p30 111.91 17.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 1.074 ' O ' HG21 ' A' ' 52' ' ' VAL . 1.8 mm100 -109.67 47.88 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.218 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.099 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.9 134.49 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.37 -44.87 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.98 -133.0 2.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.98 HG12 ' SG ' ' A' ' 103' ' ' CYS . 78.5 t -150.74 89.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.831 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -83.8 164.76 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.708 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.39 153.14 17.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.619 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.5 m170 -77.11 20.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.54 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.504 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -74.07 120.84 20.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 31.45 42.65 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.103 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -74.64 -20.88 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.9 t 83.56 45.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 128.06 -134.66 8.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 25.4 t30 -95.87 4.63 52.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.11 -177.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.699 ' O ' HG13 ' A' ' 101' ' ' VAL . 27.7 m-85 -132.89 167.48 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.2 m -162.19 134.94 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -58.53 125.4 23.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.9 m -55.25 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.625 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -128.88 58.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -36.95 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.163 ' CE2' HG21 ' A' ' 16' ' ' VAL . 89.7 m-85 -135.25 125.37 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.071 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.716 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.7 m -133.56 104.55 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.8 m -80.17 64.61 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.61 -52.01 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -150.01 48.35 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.744 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -123.61 -168.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 48.9 t -171.78 75.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.922 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 20.1 m-85 -87.62 43.53 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.831 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -24.63 149.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.006 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' SER . 6.5 p -38.38 -22.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.999 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.5 t -83.22 -23.04 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.922 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -84.71 -32.5 23.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.163 HG21 ' CE2' ' A' ' 4' ' ' TYR . 35.1 t -62.61 -66.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.486 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 33.8 t -42.41 -52.77 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.063 . . . . 0.0 110.009 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -51.57 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.703 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -43.66 96.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.722 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 2.9 mt-30 -57.2 -58.67 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.39 -37.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.103 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.67 -55.25 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.07 -42.99 99.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.677 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.7 t80 -67.3 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 18.4 tptt -40.58 -62.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.979 HD22 HG13 ' A' ' 33' ' ' VAL . 4.0 tp -57.14 -33.21 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.857 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.2 t60 -67.92 -52.51 35.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.636 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.604 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.21 -27.21 44.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.75 -16.85 31.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.94 23.78 75.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.9 mm-40 -102.0 179.86 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 0.718 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.939 ' HA ' HD21 ' A' ' 26' ' ' LEU . 23.9 p -126.51 170.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.469 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.979 HG13 HD22 ' A' ' 26' ' ' LEU . 16.9 m -116.01 121.64 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.56 ' HA3' ' HA3' ' A' ' 70' ' ' GLY . . . 80.2 -142.59 24.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -97.72 -20.3 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 0.719 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.612 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.6 m-20 -69.94 -165.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 39' ' ' PRO . 18.8 p -125.48 46.74 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.5 m-85 -102.91 145.78 31.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.914 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 -161.54 2.51 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.044 -0.105 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.764 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.1 p80 175.58 161.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.542 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.5 OUTLIER -41.9 163.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.744 ' CD1' HG11 ' A' ' 79' ' ' VAL . 44.1 t80 -147.17 10.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.0 m120 -7.71 82.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.74 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 8.3 p30 -52.96 162.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.74 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -168.63 -38.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -17.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 107.75 51.79 0.73 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 27.2 m-85 -97.19 137.54 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.04 57.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.6 m-30 -53.79 120.34 6.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.2 p -61.52 -1.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.662 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 14.7 m -108.99 150.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.363 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 14.1 m -85.11 179.36 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.764 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 12.9 p -87.07 164.25 36.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.781 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -75.03 175.2 48.93 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.946 -2.523 . . . . 0.0 111.04 0.021 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.826 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 11.8 m-30 -116.77 125.29 51.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.929 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.7 m-30 -111.09 119.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.764 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -77.16 139.06 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.855 ' CH2' HG11 ' A' ' 33' ' ' VAL . 63.5 t-105 -159.57 139.6 8.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.017 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.0 138.11 22.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.896 HD12 HG11 ' A' ' 78' ' ' VAL . 11.1 tt -107.72 111.3 35.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt -88.52 116.79 27.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.22 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -58.88 -14.72 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.002 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -18.22 56.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.36 38.25 11.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -109.98 -175.67 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.103 HG22 ' HB2' ' A' ' 22' ' ' ALA . 8.9 t -115.25 100.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.085 ' OH ' ' N ' ' A' ' 71' ' ' GLY . 17.6 t80 -36.14 127.96 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 10.5 p -109.94 45.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.731 ' C ' ' CE1' ' A' ' 68' ' ' TYR . . . 76.74 141.27 1.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.573 1.171 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 1.085 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 154.24 -145.31 12.45 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.606 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -130.27 53.0 10.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.865 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.92 45.87 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 111.101 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -58.02 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.697 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . -19.49 -56.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 74' ' ' GLY . 92.3 m-20 -122.9 114.63 20.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -138.7 144.73 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.068 ' CB ' HD21 ' A' ' 86' ' ' LEU . 4.4 m -118.01 150.53 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.272 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.3 t -129.58 118.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.929 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.3 p90 -127.01 -157.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.363 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -139.64 -168.99 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.748 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 1.2 tp10 -89.45 21.55 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.707 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -112.57 -20.23 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.707 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 7.0 p-10 103.3 21.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.662 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 27.8 mt-30 -107.92 105.31 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.108 HD23 HG13 ' A' ' 16' ' ' VAL . 3.1 tp -99.43 141.74 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -146.97 -45.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 1.272 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -44.31 54.68 0.0 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.08 HG11 ' HB3' ' A' ' 4' ' ' TYR . 52.9 t -84.57 40.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 0.776 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.842 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.38 172.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.794 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.84 163.39 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.586 ' HB2' ' HA ' ' A' ' 75' ' ' ALA . 13.1 m170 -84.16 -10.69 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 109.599 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -35.58 97.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' SER . . . 38.39 37.05 0.46 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.101 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -67.56 61.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.3 OUTLIER 34.46 30.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 110.056 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.0 -125.23 4.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 15.1 t30 -98.75 2.92 47.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.391 0.701 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 1.101 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -62.47 172.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.842 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.2 m-85 -119.31 158.8 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 27.1 m -160.07 123.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.415 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -49.99 123.77 8.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -50.88 173.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 108.344 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.8 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.525 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -119.95 57.02 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 108.264 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -37.71 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.213 ' CE2' HG21 ' A' ' 16' ' ' VAL . 91.4 m-85 -137.9 115.41 11.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.694 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.5 m -124.9 107.01 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.8 m -82.14 64.71 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.94 -54.98 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.544 1.152 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.427 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -146.49 48.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.978 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.745 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.4 -169.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t -171.76 73.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.88 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.8 m-85 -86.07 46.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.81 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -27.15 151.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.4 p -38.67 -22.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -83.02 -25.18 32.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.88 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.17 -26.25 28.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.213 HG21 ' CE2' ' A' ' 4' ' ' TYR . 47.6 t -71.46 -70.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.438 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.4 t -38.26 -49.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -51.15 35.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -62.04 -44.59 96.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.775 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.7 mt-30 -56.27 -58.32 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.53 -39.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.958 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.35 -59.54 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -59.87 -39.3 95.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.611 ' OH ' ' C ' ' A' ' 82' ' ' GLU . 1.3 t80 -68.48 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 11.5 tptp -38.41 -59.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 33' ' ' VAL . 1.9 tp -59.87 -34.86 73.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.3 t60 -66.6 -50.7 62.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.22 -26.83 61.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.23 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.01 -17.23 29.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.38 22.82 72.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.1 mm-40 -100.99 179.29 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.99 ' HA ' HD21 ' A' ' 26' ' ' LEU . 82.5 p -125.55 169.5 12.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 26' ' ' LEU . 4.4 m -115.92 128.85 73.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' HA3' ' O ' ' A' ' 69' ' ' SER . . . 72.1 -152.06 48.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -96.41 15.09 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.979 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.6 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.1 m-20 -104.9 -165.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.17 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 39' ' ' PRO . 12.7 p -121.06 43.28 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.966 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.6 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.92 142.96 25.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.887 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.07 -162.89 2.93 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.645 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.2 p80 170.61 163.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.529 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -42.36 163.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.788 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 36.8 t80 -146.11 10.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.0 m-20 -4.84 77.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 9.3 p30 -47.38 160.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -163.78 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 18.0 mt-10 -41.91 -20.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 110.81 56.48 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.875 ' CE1' HG22 ' A' ' 90' ' ' ILE . 86.5 m-85 -98.57 132.84 43.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 57.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -55.84 114.72 2.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -60.73 -0.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.57 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 15.9 m -110.98 151.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.358 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 14.6 t -88.07 172.17 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.798 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.0 p -79.85 166.34 41.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.798 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.0 162.1 93.54 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.033 0.024 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.595 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 17.1 m-30 -107.93 128.21 54.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -111.81 113.69 26.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.788 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.8 pt-20 -77.27 137.1 38.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 58.5 t-105 -155.55 140.59 12.22 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.046 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.742 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.789 HD12 HG11 ' A' ' 78' ' ' VAL . 8.4 tt -103.72 112.35 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 mt -88.06 117.42 26.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -13.27 10.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -79.82 -17.41 53.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.22 37.76 12.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.99 -175.15 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 ' HB2' ' A' ' 22' ' ' ALA . 16.6 t -115.71 102.02 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.046 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 23.5 t80 -36.72 126.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.544 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 60.3 p -100.72 45.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.696 ' HA2' ' CE2' ' A' ' 68' ' ' TYR . . . 65.52 154.73 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.619 1.2 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 1.04 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 136.78 -140.62 11.61 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 74' ' ' GLY . 1.3 m -124.89 73.65 64.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.408 0.711 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.755 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 41.32 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.783 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -59.25 114.54 6.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.797 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . 149.03 -64.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.51 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 10.2 m-20 -122.83 118.46 28.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.713 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -141.45 142.64 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.002 ' CB ' HD11 ' A' ' 86' ' ' LEU . 9.3 m -114.29 148.0 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.317 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 71.8 t -128.95 110.7 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.3 p90 -120.33 -169.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.358 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -127.95 -171.02 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.703 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 2.9 tt0 -88.7 17.48 5.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.767 ' ND2' ' HB2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.47 -19.35 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.713 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 6.2 p-10 102.48 25.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.57 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 46.7 mt-30 -113.82 117.16 30.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.037 HD13 HG13 ' A' ' 16' ' ' VAL . 1.5 tt -102.74 146.5 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.952 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -152.18 -38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 1.317 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.27 54.46 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.196 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -83.88 34.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.875 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -64.67 174.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.797 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.9 148.39 10.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.629 ' O ' ' N ' ' A' ' 94' ' ' GLY . 12.9 m-70 -70.55 1.41 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.575 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -29.75 88.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.388 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.54 39.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.901 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -52.56 171.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.0 t -62.82 8.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 152.3 -121.67 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 18.9 t30 -92.85 1.49 57.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.901 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 4.9 p-10 -66.31 -165.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.862 ' CD1' HG13 ' A' ' 90' ' ' ILE . 40.4 m-85 -139.79 171.33 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.716 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 27.8 m -160.79 125.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.535 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 1.4 pt-20 -55.08 123.57 14.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 96.3 m -51.09 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 108.242 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.435 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.667 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -105.72 61.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 108.284 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -41.26 -28.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.056 ' CE2' HG21 ' A' ' 16' ' ' VAL . 69.4 m-85 -139.9 110.38 6.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.566 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.4 m -118.6 103.43 9.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 24.9 m -78.7 67.79 4.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.58 -47.05 3.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -160.99 48.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.831 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.8 -166.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.667 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 47.7 t -171.8 76.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.897 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.5 m-85 -90.98 47.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -25.13 149.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.7 p -38.24 -24.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.2 t -82.07 -24.49 35.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.897 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.36 -28.92 31.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.1 HG12 ' OE1' ' A' ' 20' ' ' GLN . 69.1 t -76.24 -66.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 39.7 t -37.81 -49.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -52.44 53.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.561 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.85 -43.4 98.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.1 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.6 mt-30 -59.44 -55.16 38.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.01 -38.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.07 -53.04 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.635 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.46 -39.84 37.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.795 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 5.8 t80 -75.1 -73.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.41 -50.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.944 HD21 HG13 ' A' ' 33' ' ' VAL . 56.6 tp -67.42 -36.88 82.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.837 ' CD2' ' CE2' ' A' ' 57' ' ' TYR . 9.8 t60 -64.55 -45.19 88.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.653 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -25.46 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 55.3 m-20 -80.86 -22.16 40.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.21 78.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 26' ' ' LEU . 4.0 mm-40 -97.12 178.3 5.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 62.5 p -132.09 176.42 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.944 HG13 HD21 ' A' ' 26' ' ' LEU . 3.4 m -134.98 152.98 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.81 -154.94 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -97.75 45.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.638 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -139.74 -166.63 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 39' ' ' PRO . 4.5 p -118.68 38.52 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.638 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -93.27 147.14 33.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.803 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -170.57 8.39 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.033 -0.03 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.628 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 26.5 p80 178.26 170.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 4.3 ttmt -50.47 169.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.709 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 17.7 t80 -153.06 11.92 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m120 -6.42 85.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.772 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.6 p30 -53.3 167.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -177.0 -43.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.52 -20.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.95 57.28 0.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.745 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 84.1 m-85 -101.17 139.36 36.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.84 75.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.214 -179.884 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 1.139 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 17.8 m-30 -80.71 120.2 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.5 p -81.02 22.32 0.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.984 HG21 ' O ' ' A' ' 85' ' ' GLN . 34.3 m -127.53 156.87 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.866 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -94.75 142.88 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.807 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -52.54 169.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.855 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.7 Cg_endo -74.95 152.43 98.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.065 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.56 ' CE2' ' ND2' ' A' ' 44' ' ' ASN . 23.3 m-85 -92.45 110.87 22.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.007 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -94.96 129.46 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.647 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.0 pp20? -92.95 141.03 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.911 ' O ' ' N ' ' A' ' 78' ' ' VAL . 59.3 t-105 -162.07 138.97 6.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.177 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 154.53 42.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.575 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 18.1 tt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 68' ' ' TYR . 90.9 mt -94.21 120.48 34.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.2 t -59.57 -12.52 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.27 -16.93 41.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.942 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.42 35.71 13.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.28 -171.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 22' ' ' ALA . 5.3 t -109.03 107.33 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.177 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 1.1 t80 -43.39 93.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.492 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 78.3 p -123.46 48.2 1.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.944 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.87 -52.42 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 102.75 24.99 7.84 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.63 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.45 52.52 2.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.63 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.0 -56.08 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.793 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 27.72 87.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.985 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 147.11 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.782 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.0 m-20 -70.26 134.05 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 1.011 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -155.02 131.01 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -102.12 130.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.107 ' O ' ' N ' ' A' ' 87' ' ' ALA . 81.9 t -110.78 131.65 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.391 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 1.007 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -142.33 -176.08 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.265 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 2.1 p-10 -128.8 -117.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 1.265 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 47.1 tt0 -29.74 -56.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.795 ' HB3' ' CG ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -171.81 -89.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' A' ' 84' ' ' ASN . 0.5 OUTLIER -79.66 18.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 1.105 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 9.7 mm100 -90.04 45.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.08 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -37.46 137.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.139 ' HB1' ' CD2' ' A' ' 50' ' ' PHE . . . -87.02 -33.64 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.621 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 169.01 -146.77 10.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.918 HG21 ' CG ' ' A' ' 4' ' ' TYR . 24.6 t -143.32 88.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.807 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.809 HD13 ' CG2' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -82.16 161.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.985 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -157.15 150.89 24.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.9 m170 -74.16 -5.93 44.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -34.16 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.8 42.82 0.05 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.571 1.17 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.635 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -62.98 -10.29 13.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 0.838 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.652 ' C ' HD22 ' A' ' 99' ' ' ASN . 3.4 t 97.65 46.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.21 -131.03 8.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 26.6 t30 -96.14 5.31 51.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.652 HD22 ' C ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -67.28 169.96 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.362 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.742 ' O ' HG13 ' A' ' 101' ' ' VAL . 28.6 m-85 -121.76 167.69 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.4 m -162.71 132.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -59.33 123.17 15.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 64.3 m -55.7 -166.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.365 -179.97 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.503 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.74 61.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.13 -27.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.246 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.0 m-85 -139.74 113.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.15 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -123.08 104.93 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.049 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.5 m -79.34 62.99 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.37 -49.61 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.0 p -152.82 48.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.781 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -125.0 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 39.4 t -172.76 76.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.294 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.846 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 16.5 m-85 -90.05 51.92 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.793 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -29.75 152.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -39.11 -22.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.6 t -83.07 -25.25 32.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.846 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -84.36 -22.73 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.246 HG21 ' CE2' ' A' ' 4' ' ' TYR . 41.9 t -76.56 -70.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' VAL . 33.0 t -37.4 -45.91 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.15 -54.3 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.819 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -44.1 96.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.807 ' OE1' HG12 ' A' ' 16' ' ' VAL . 6.9 mt-30 -55.75 -57.16 13.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -33.73 -33.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.924 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -86.02 -47.02 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.27 -43.71 98.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -72.27 -65.03 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 110.978 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -38.33 -56.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.949 HD11 ' C ' ' A' ' 31' ' ' GLU . 13.9 tp -61.68 -36.66 81.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 27.9 t60 -64.06 -48.02 77.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 109.652 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -61.87 -24.55 67.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -86.31 -20.26 28.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.33 23.05 78.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.949 ' C ' HD11 ' A' ' 26' ' ' LEU . 20.3 mm-40 -102.11 178.59 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 110.195 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.7 p -126.47 -171.76 2.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.952 HG11 ' HH2' ' A' ' 59' ' ' TRP . 28.1 m -133.42 131.02 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.827 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.71 79.88 0.0 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.878 ' HB2' ' N ' ' A' ' 71' ' ' GLY . 43.1 t 178.17 -94.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.716 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 52.2 m-20 -121.91 -162.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . 8.6 p -83.93 31.69 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.716 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -82.9 146.06 51.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.5 Cg_endo -75.0 179.85 29.2 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.005 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.664 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 26.2 p80 -179.52 167.56 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.57 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -43.46 166.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.726 ' CD2' HG11 ' A' ' 79' ' ' VAL . 31.4 t80 -148.21 11.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.0 m-20 -3.48 85.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 9.0 p30 -60.54 166.72 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -170.02 -43.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 16.8 mt-10 -39.37 -23.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 112.22 58.73 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.876 ' CE1' HG22 ' A' ' 90' ' ' ILE . 86.9 m-85 -101.29 134.39 44.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 0.767 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.63 58.19 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.1 m-30 -56.35 112.33 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.44 0.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.9 m -110.58 150.78 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' SER . . . . . 1.104 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 74.2 m -86.83 171.09 11.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.766 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 8.9 p -79.23 164.82 52.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.766 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -75.02 171.03 70.18 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.991 0.023 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.745 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.9 m-30 -115.08 126.2 54.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.939 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.2 m-30 -110.21 119.8 40.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.664 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.7 pt-20 -78.53 139.56 38.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.952 ' HH2' HG11 ' A' ' 33' ' ' VAL . 58.1 t-105 -164.72 139.77 4.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.031 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 148.44 35.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.916 HD12 HG11 ' A' ' 78' ' ' VAL . 10.9 tt -114.0 130.56 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.835 HD13 ' HB2' ' A' ' 66' ' ' ASP . 20.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -69.45 0.53 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -96.9 -13.32 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.67 40.06 9.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.4 m-20 -114.18 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.924 HG22 ' HB2' ' A' ' 22' ' ' ALA . 3.9 t -122.47 106.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.031 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -44.83 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.64 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 83.3 p -97.09 -5.65 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.827 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -132.91 148.92 19.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.878 ' N ' ' HB2' ' A' ' 35' ' ' SER . . . -69.94 43.71 0.51 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.671 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 92.7 p -142.34 50.3 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.752 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.06 -83.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 165.62 161.25 14.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.778 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.42 -33.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.471 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.6 m-20 -67.15 124.66 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.752 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 1.1 mmt180 -141.26 144.24 34.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.126 ' CB ' HD11 ' A' ' 86' ' ' LEU . 4.1 m -114.52 150.21 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.303 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 98.6 t -132.25 114.09 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.939 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.5 p90 -119.69 -155.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.104 ' ND2' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -138.83 -163.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.783 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 55.2 tt0 -92.46 4.93 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.722 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -95.46 -23.22 17.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 9.6 p-10 106.38 21.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.588 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 34.1 mt-30 -107.51 115.19 29.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.126 HD11 ' CB ' ' A' ' 78' ' ' VAL . 3.5 tt -99.95 152.74 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -159.52 -42.38 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 1.303 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -51.15 56.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.169 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.5 t -83.47 33.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.902 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.39 175.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.778 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -162.94 148.52 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.664 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.3 m-70 -74.21 11.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.0 83.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.446 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.6 36.44 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.904 ' C ' HD22 ' A' ' 99' ' ' ASN . . . -51.58 -33.57 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.711 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 14.7 t 137.05 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.48 -117.85 4.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -95.39 -7.51 38.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 0.787 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.904 HD22 ' C ' ' A' ' 95' ' ' ALA . 22.9 p-10 -61.88 156.19 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.902 ' CD1' HG13 ' A' ' 90' ' ' ILE . 23.0 m-85 -111.06 169.03 9.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 100' ' ' PHE . 27.7 m -163.79 127.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.515 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -48.37 130.9 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.15 ' O ' ' O ' ' A' ' 5' ' ' THR . 44.9 m -59.51 -7.29 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.286 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.886 HG23 ' C ' ' A' ' 103' ' ' CYS . 2.6 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.526 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.1 56.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -39.67 -28.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 1.202 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.4 m-85 -136.22 114.08 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.698 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.9 m -125.78 104.94 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.8 m -80.61 66.43 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.48 -51.7 4.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.6 p -152.55 48.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.049 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.752 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -122.92 -167.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 44.5 t -170.9 74.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.878 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 22.4 m-85 -88.37 45.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.804 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -27.6 151.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 62.3 p -38.83 -22.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -82.3 -24.97 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.878 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.91 -28.11 28.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.202 HG21 ' CE2' ' A' ' 4' ' ' TYR . 40.8 t -69.51 -67.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.621 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 6.8 t -40.43 -52.06 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.46 -54.29 7.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.75 -44.07 90.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.863 ' NE2' HG12 ' A' ' 16' ' ' VAL . 12.7 mt-30 -53.85 -57.37 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.27 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.086 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -85.12 -46.94 10.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.5 -44.22 97.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -74.32 -63.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 5.9 tptm -38.58 -58.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.006 HD23 ' HD3' ' A' ' 39' ' ' PRO . 49.0 tp -60.58 -32.22 71.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 37.7 t60 -70.49 -52.24 23.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -53.66 -27.88 29.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -84.8 -14.78 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.79 23.66 77.69 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.056 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.7 mm-40 -107.43 172.8 6.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p -132.98 163.82 28.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.037 HG11 ' HH2' ' A' ' 59' ' ' TRP . 3.5 m -83.56 123.35 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.954 ' O ' ' HB2' ' A' ' 35' ' ' SER . . . -36.37 105.66 0.03 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' SER . . . . . 1.147 ' HB3' ' N ' ' A' ' 71' ' ' GLY . 0.3 OUTLIER 152.22 -64.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.991 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.712 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -126.49 -157.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.575 ' HA ' HG21 ' A' ' 32' ' ' THR . 51.6 p -109.36 37.98 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.065 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.712 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -94.3 145.88 30.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 1.006 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.06 -170.04 7.92 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.952 0.064 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.8 p80 179.17 168.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.0 OUTLIER -51.98 159.26 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.796 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 21.0 t80 -151.58 -64.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 111.06 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.858 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-20 81.94 -99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.858 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 3.3 p-10 149.82 174.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 178.52 -47.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.676 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt-10 -45.92 -16.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.43 54.06 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.003 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.3 m-85 -94.37 135.41 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 58.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.712 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.5 m-30 -56.32 109.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.2 p -60.64 0.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.569 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.8 m -111.94 151.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -88.11 176.56 7.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.718 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 23.1 p -77.74 162.12 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.816 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -74.97 173.73 56.33 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.978 -0.001 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.84 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 12.7 m-30 -119.78 113.84 21.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 21.0 m-30 -102.74 120.88 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.698 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -79.91 140.39 36.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.037 ' HH2' HG11 ' A' ' 33' ' ' VAL . 43.5 t-105 -163.01 144.84 7.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 107.989 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.97 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.06 143.99 29.5 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.921 HD12 HG11 ' A' ' 78' ' ' VAL . 7.4 tt -110.76 114.92 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 68' ' ' TYR . 98.4 mt -85.82 120.03 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -56.18 -14.57 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -11.83 48.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.34 36.6 38.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -111.21 -172.92 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.086 HG22 ' HB2' ' A' ' 22' ' ' ALA . 53.7 t -108.38 113.75 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.696 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 10.5 t80 -40.11 167.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.053 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.707 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 71.2 p -104.68 -27.44 11.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 110.002 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 1.085 ' C ' ' HB3' ' A' ' 35' ' ' SER . . . 126.48 159.75 10.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 1.147 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 86.79 -131.55 10.62 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.563 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.1 p -90.93 102.34 5.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 109.958 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.879 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.5 Cg_endo -74.95 -10.04 21.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.24 -103.62 0.66 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.701 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -138.25 -47.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 0.715 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.537 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.28 128.03 34.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.632 ' HD3' ' HG2' ' A' ' 73' ' ' PRO . 1.5 mmt-85 -143.08 149.61 38.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.087 ' CB ' HD21 ' A' ' 86' ' ' LEU . 3.5 m -119.37 148.49 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.253 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 85.6 t -131.81 118.05 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -123.53 -158.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.816 ' ND2' ' O ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -135.15 -167.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 18.5 tt0 -89.43 8.65 29.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.729 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -98.22 -24.36 15.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.729 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 10.7 p-10 108.72 19.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 29.8 mt-30 -105.7 111.26 23.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.087 HD21 ' CB ' ' A' ' 78' ' ' VAL . 3.7 tp -102.39 143.62 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.065 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -149.59 -45.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 1.253 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -39.65 57.44 0.0 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.128 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.7 t -82.06 35.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.003 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -65.47 173.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.701 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.92 153.64 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.663 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.6 m170 -75.69 12.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.659 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.83 88.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.47 42.02 0.08 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.655 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.88 -8.55 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.71 ' C ' HD22 ' A' ' 99' ' ' ASN . 4.8 t 100.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.33 -131.89 9.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.098 . . . . 0.0 110.949 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 28.1 t30 -95.89 12.56 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.71 HD22 ' C ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -73.64 167.26 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.844 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.8 m-85 -120.27 165.45 14.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 100' ' ' PHE . 34.7 m -162.91 124.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.504 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -52.1 122.31 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.7 m -49.86 176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 5' ' ' THR . 81.0 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.499 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -35.79 131.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.498 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -130.97 -4.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.774 ' CB ' HG21 ' A' ' 89' ' ' VAL . 79.6 m-85 -137.6 89.36 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.49 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 8.2 m -99.1 103.74 15.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.0 m -81.51 65.14 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.367 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 -55.19 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.602 1.189 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 p -133.08 54.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 109.984 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.739 HD22 ' CG ' ' A' ' 76' ' ' ASP . 5.2 m120 -141.78 -175.31 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.35 62.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.348 -179.921 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.724 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -130.14 96.8 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 28.3 p -62.87 -177.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -54.04 -16.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -82.4 -29.71 30.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.69 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.83 -40.24 18.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.09 ' CG1' HD13 ' A' ' 86' ' ' LEU . 94.3 t -55.91 -48.52 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.516 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.7 t -36.3 -53.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -52.15 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.361 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.16 -41.99 89.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.692 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 11.8 mt-30 -60.44 -56.22 24.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.88 -36.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.922 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -73.27 -54.58 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -52.79 -42.68 59.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.677 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 9.3 t80 -68.82 -66.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -33.18 -57.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 33' ' ' VAL . 3.8 tp -62.81 -38.64 91.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.824 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.7 t60 -63.08 -48.33 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.654 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -59.67 -28.69 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.25 -16.38 35.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 22.98 75.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' HB2' HD12 ' A' ' 26' ' ' LEU . 8.4 mm-40 -100.3 178.51 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.922 ' HA ' HD21 ' A' ' 26' ' ' LEU . 34.6 p -126.21 -177.33 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 26' ' ' LEU . 4.0 m -134.97 125.84 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.569 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 79.36 -144.5 27.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -97.11 -13.65 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.567 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.9 m-20 -79.51 -166.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 p -125.13 45.69 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.6 m-85 -98.39 147.54 33.27 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.903 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -171.42 9.37 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.941 0.069 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -178.96 161.93 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.622 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 42' ' ' TYR . 1.3 tttm -41.29 162.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.706 ' O ' ' C ' ' A' ' 43' ' ' ASN . 14.5 t80 -148.69 11.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -4.79 86.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.754 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.9 p30 -55.08 164.31 0.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.97 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 11.2 mt-10 -43.77 -20.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.64 56.06 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 90' ' ' ILE . 92.5 m-85 -103.41 134.59 46.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.67 68.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.975 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.3 m-30 -69.0 121.27 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -77.09 21.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.995 HG21 ' O ' ' A' ' 85' ' ' GLN . 12.9 m -127.57 147.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 54' ' ' SER . 51.1 m -85.54 135.97 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.743 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -41.07 166.78 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 1.126 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.01 175.52 47.5 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.021 0.055 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.615 ' CE2' ' ND2' ' A' ' 44' ' ' ASN . 22.4 m-85 -115.22 109.01 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.947 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.4 m-30 -95.22 120.55 35.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.704 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.36 122.26 32.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.961 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 45.5 t-105 -137.17 147.15 57.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.961 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 153.85 41.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.493 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 16.6 tt -121.56 114.88 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.378 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 66' ' ' ASP . 25.7 mt -86.4 123.51 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.93 -2.6 5.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -95.66 -15.97 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.04 39.56 9.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.71 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.2 m-20 -113.27 -173.05 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 22' ' ' ALA . 11.9 t -115.5 104.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.209 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.859 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 18.3 t80 -44.55 103.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.494 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 24.9 p -112.04 43.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.669 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -140.59 -160.58 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.671 ' HA2' ' HH ' ' A' ' 68' ' ' TYR . . . -112.65 -23.63 5.29 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -121.35 90.14 47.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.744 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.08 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.571 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 168.02 175.0 37.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.768 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -49.56 -49.5 46.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 0.825 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.739 ' CG ' HD22 ' A' ' 9' ' ' ASN . 5.9 m-20 -57.71 126.05 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.744 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.62 145.77 27.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.846 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -112.7 135.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.5 t -114.03 136.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.947 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.7 p90 -153.07 161.08 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.286 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.55 -109.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 1.286 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 2.2 tt0 -37.49 -63.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.158 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.7 OUTLIER -163.9 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.888 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.919 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.9 23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 1.402 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -84.1 30.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.373 179.939 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.09 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -27.82 114.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.975 ' HB1' ' CG ' ' A' ' 50' ' ' PHE . . . -71.33 -37.07 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 165.19 -140.12 6.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.97 HG12 ' SG ' ' A' ' 103' ' ' CYS . 79.8 t -144.41 90.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.3 pt -84.83 165.23 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.98 153.16 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.768 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 7.8 m170 -83.15 14.28 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.3 84.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.409 1.068 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.924 ' C ' HD22 ' A' ' 99' ' ' ASN . . . -52.12 -36.65 51.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.714 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 12.0 t 138.02 40.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.42 -117.87 4.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 45.6 t30 -93.92 -9.82 35.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.737 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.924 HD22 ' C ' ' A' ' 95' ' ' ALA . 22.0 p-10 -60.54 148.09 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.756 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.3 m-85 -104.92 168.47 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 100' ' ' PHE . 30.9 m -163.29 136.57 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.617 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.09 126.3 26.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.5 m -54.79 -167.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.998 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -36.41 127.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.308 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -129.54 -6.04 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.773 ' CB ' HG21 ' A' ' 89' ' ' VAL . 90.1 m-85 -134.39 87.61 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 9' ' ' ASN . 12.3 m -97.4 102.42 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.8 m -80.75 64.33 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.12 -54.41 0.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.429 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 13.9 p -131.15 53.65 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.759 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.722 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -142.95 -175.49 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.13 60.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.71 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -127.05 99.56 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -64.58 178.6 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.977 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.481 ' N ' ' OG ' ' A' ' 12' ' ' SER . 26.4 p -50.91 -17.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.6 t -81.65 -29.43 33.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.936 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.687 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.74 -40.38 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.059 ' CG1' HD13 ' A' ' 86' ' ' LEU . 95.8 t -56.31 -47.04 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.488 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.3 t -36.38 -52.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.5 -54.85 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.21 -42.32 85.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.715 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 12.8 mt-30 -59.35 -54.69 43.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.37 -38.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.29 -52.16 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.611 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.01 -40.29 58.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.6 t80 -73.39 -71.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -34.56 -52.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.93 HD11 ' C ' ' A' ' 31' ' ' GLU . 9.4 tp -65.88 -38.45 88.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.9 t60 -63.5 -44.74 93.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.641 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.37 -26.87 68.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 6.3 m-20 -83.29 -20.92 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.99 23.93 70.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.571 1.169 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.93 ' C ' HD11 ' A' ' 26' ' ' LEU . 3.7 mm-40 -99.96 177.58 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 69.4 p -130.73 179.08 6.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.859 HG13 HD21 ' A' ' 26' ' ' LEU . 3.0 m -136.63 129.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.73 -147.06 29.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.7 m -96.75 -12.57 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.603 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.2 m-20 -80.21 -164.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.378 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.5 p -123.88 43.59 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.603 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.27 145.33 29.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.612 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 -174.42 14.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.057 -0.025 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.743 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 29.9 p80 178.53 167.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.595 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.34 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.801 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 20.9 t80 -152.99 13.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.691 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -4.81 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.744 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.8 p30 -58.27 170.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.744 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -178.04 -43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.946 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.2 mp0 -41.64 -22.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.77 57.8 0.31 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.8 m-85 -101.78 137.67 39.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.83 71.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.898 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 20.4 m-30 -75.0 115.38 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.9 p -75.33 21.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.067 HG21 ' O ' ' A' ' 85' ' ' GLN . 16.1 m -128.67 149.27 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.7 m -89.11 134.82 33.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.857 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -43.44 173.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.971 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.07 149.62 94.01 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.99 0.038 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.579 ' CE2' ' ND2' ' A' ' 44' ' ' ASN . 24.9 m-85 -90.0 114.26 26.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -97.63 119.98 37.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.801 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -87.75 126.08 34.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.057 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.3 t-105 -143.6 148.73 44.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.057 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.96 156.22 43.14 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.504 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.6 tt -123.59 119.02 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.716 HD13 ' HB2' ' A' ' 66' ' ' ASP . 28.7 mt -91.65 119.43 31.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -64.38 -5.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -16.63 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.32 37.63 9.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.716 ' HB2' HD13 ' A' ' 62' ' ' LEU . 57.0 m-20 -111.53 -170.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.911 HG22 ' HB2' ' A' ' 22' ' ' ALA . 4.4 t -118.99 106.53 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.362 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.899 ' OH ' ' HA2' ' A' ' 71' ' ' GLY . 5.7 t80 -43.74 137.79 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.764 ' O ' ' O ' ' A' ' 70' ' ' GLY . 55.8 p -123.97 -67.29 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.764 ' O ' ' O ' ' A' ' 69' ' ' SER . . . -44.81 -155.26 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.899 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -116.91 -10.14 10.23 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.7 p -116.03 81.69 10.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.713 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.1 Cg_endo -75.04 -56.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 145.01 169.38 13.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.757 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -49.1 -45.66 43.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.602 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 6.7 m-20 -59.13 125.62 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.713 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.93 145.19 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.795 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -109.4 141.77 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.945 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.4 t -120.16 135.45 60.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -152.38 162.26 41.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.273 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.53 -110.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 1.273 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 1.6 tt0 -36.93 -63.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.156 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.7 OUTLIER -163.45 -78.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.934 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.98 23.87 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 1.39 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.96 31.42 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.059 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -28.01 114.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.945 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.37 -36.46 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 164.39 -136.32 4.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.001 HG12 ' SG ' ' A' ' 103' ' ' CYS . 70.1 t -147.79 91.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.821 HD13 ' CG2' ' A' ' 79' ' ' VAL . 1.4 pt -85.17 164.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.29 146.2 11.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.633 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 7.9 m170 -71.5 22.02 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.603 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -44.32 86.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.128 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -46.27 170.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.2 t -68.48 11.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 156.11 -124.36 1.46 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 20.7 t30 -92.43 1.09 57.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.22 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 1.128 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 4.3 p-10 -64.1 -162.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.67 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 42.4 m-85 -141.54 172.81 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 100' ' ' PHE . 27.6 m -161.07 133.15 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.1 OUTLIER -58.83 126.11 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.05 -162.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.749 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -164.76 122.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' N ' ' HB3' ' A' ' 12' ' ' SER . 9.7 m-20 -137.41 -5.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.896 ' CG ' HG21 ' A' ' 89' ' ' VAL . 85.6 m-85 -133.89 94.41 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 9' ' ' ASN . 11.5 m -100.89 104.81 16.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.0 m -81.49 64.61 6.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.11 -54.13 1.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 p -133.12 52.12 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.812 HD22 ' CG ' ' A' ' 76' ' ' ASP . 4.1 m120 -140.09 -175.28 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.749 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.0 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.28 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.75 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -125.47 99.23 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.472 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 64.2 p -63.49 178.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.72 -16.79 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.81 -29.41 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.68 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.93 -39.42 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.014 ' CG1' HD13 ' A' ' 86' ' ' LEU . 88.0 t -56.52 -47.27 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.476 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 10.8 t -37.56 -50.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -49.8 -56.12 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.436 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.673 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -56.77 -42.95 80.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.666 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.4 mt-30 -57.21 -54.95 41.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.1 -37.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.212 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.949 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.01 -53.53 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.541 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.63 -40.15 39.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.157 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.771 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 7.2 t80 -72.46 -72.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 36.8 tptt -35.8 -51.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.919 HD11 ' C ' ' A' ' 31' ' ' GLU . 13.5 tp -67.67 -35.36 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.807 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 17.4 t60 -66.88 -45.68 77.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.643 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.85 -23.09 65.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 56.2 m-20 -84.26 -22.05 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.08 23.32 71.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.919 ' C ' HD11 ' A' ' 26' ' ' LEU . 3.2 mm-40 -97.7 178.58 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 82.7 p -136.08 170.4 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.912 HG13 HD21 ' A' ' 26' ' ' LEU . 3.1 m -133.68 136.14 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.482 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.6 -150.41 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 m -98.87 0.14 43.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.629 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.9 m-20 -94.25 -165.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.2 p -121.79 42.07 3.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.629 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-30 -92.82 148.41 35.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.639 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.96 -172.8 11.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.016 -0.054 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.627 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 -177.74 171.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.546 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.502 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -53.66 168.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.705 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -160.11 -25.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.848 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-80 51.94 -107.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.848 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 3.1 p30 153.67 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.05 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 111.066 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.96 -20.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.49 59.34 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.368 1.043 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.862 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.5 m-85 -100.59 136.81 39.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 66.2 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.916 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 14.1 m-30 -70.74 101.58 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -73.14 24.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.044 HG21 ' O ' ' A' ' 85' ' ' GLN . 13.4 m -128.17 148.12 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 54' ' ' SER . 7.0 t -85.34 136.56 33.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.172 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.748 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.2 p -41.72 165.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 1.073 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.04 175.89 45.89 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.927 0.147 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 19.7 m-85 -116.38 105.92 13.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.912 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.4 m-30 -92.22 144.94 24.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -109.22 134.34 51.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 32.6 t-105 -156.45 141.23 12.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.152 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.1 148.62 35.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.673 HG13 ' HB2' ' A' ' 19' ' ' ALA . 4.3 tt -114.16 116.65 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 68' ' ' TYR . 95.8 mt -82.72 120.77 26.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 p -57.63 -13.93 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.021 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.59 -18.2 39.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.64 34.44 13.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.91 -174.05 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.1 t -105.15 106.42 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.152 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -42.63 112.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.974 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 p -102.19 -73.33 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' SER . . . -55.88 123.78 31.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.482 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.64 65.41 0.11 Allowed Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.717 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.3 t -149.29 47.8 0.52 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.717 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.04 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.774 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 20.97 92.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.43 1.081 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.094 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.35 -85.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.254 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.812 ' CG ' HD22 ' A' ' 9' ' ' ASN . 50.4 m-20 -93.1 131.17 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.959 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -151.83 137.34 17.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.859 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.52 129.23 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.976 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.6 t -101.77 137.99 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.8 p90 -153.33 162.45 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.301 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.2 -107.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 1.301 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 30.1 tt0 -39.32 -63.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.237 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.159 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.7 OUTLIER -164.55 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.909 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.54 22.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 1.431 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.64 33.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.014 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -30.29 114.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.976 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.04 -37.39 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.516 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 170.98 -147.85 10.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.983 HG12 ' SG ' ' A' ' 103' ' ' CYS . 88.8 t -139.12 84.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.862 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -82.74 164.41 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.094 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -159.97 158.7 31.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.918 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.586 ' CE1' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m170 -80.3 -12.93 59.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.548 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -33.76 103.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 96' ' ' SER . . . 35.06 40.5 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.102 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -68.97 58.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 95' ' ' ALA . 0.7 OUTLIER 29.68 35.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.65 -128.33 5.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 98' ' ' ASN . 12.7 t30 -98.99 1.22 45.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 1.102 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -62.72 179.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 28.7 m-85 -123.23 159.99 27.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.598 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 23.8 m -160.12 133.97 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -52.3 125.63 16.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -53.33 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 108.388 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 52.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.506 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -34.87 127.97 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 108.366 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.492 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -127.5 -7.15 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.794 ' CG ' HG21 ' A' ' 89' ' ' VAL . 79.1 m-85 -134.08 84.04 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.476 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 10.2 m -93.47 103.24 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.9 m -81.39 63.11 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.15 -54.61 1.08 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 p -131.45 52.74 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.898 HD22 ' CG ' ' A' ' 76' ' ' ASP . 4.4 m120 -141.37 -175.04 4.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.36 60.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 108.339 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.748 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -127.92 96.75 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.954 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.492 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 44.1 p -65.2 -178.14 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.4 p -52.11 -17.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -81.07 -30.17 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.712 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.07 -43.59 16.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.081 ' CG1' HD12 ' A' ' 86' ' ' LEU . 92.6 t -53.95 -48.52 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.559 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 41.6 t -37.17 -55.5 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.78 -49.73 27.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.91 -41.64 98.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.772 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 13.9 mt-30 -59.34 -55.68 31.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.77 -36.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.813 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.34 -52.77 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.597 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.61 -40.31 47.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.585 1.178 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 6.4 t80 -74.18 -71.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TYR . 41.9 tptt -35.32 -50.87 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.963 HD11 ' C ' ' A' ' 31' ' ' GLU . 11.2 tp -68.3 -35.95 78.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 20.0 t60 -65.89 -44.68 84.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.651 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.17 -28.47 69.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 7.6 m-20 -81.45 -19.43 42.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.48 22.92 76.69 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.963 ' C ' HD11 ' A' ' 26' ' ' LEU . 4.8 mm-40 -97.03 179.59 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.587 ' N ' HD11 ' A' ' 26' ' ' LEU . 67.1 p -134.82 175.39 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.9 HG13 ' CD2' ' A' ' 26' ' ' LEU . 4.5 m -131.87 162.36 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 51.44 -152.58 5.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -99.34 22.47 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.663 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -114.3 -165.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.228 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -120.55 40.37 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.663 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -94.25 150.05 37.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.603 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.08 -170.16 8.03 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.975 -2.511 . . . . 0.0 110.956 0.061 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.73 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.3 p80 179.18 170.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -47.66 168.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.697 ' O ' ' C ' ' A' ' 43' ' ' ASN . 37.9 t80 -151.15 12.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.697 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.1 m-20 -8.03 87.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.779 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.8 p30 -58.63 170.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.13 -42.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -42.46 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 117.94 56.11 0.29 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.769 ' CE1' HG22 ' A' ' 90' ' ' ILE . 79.7 m-85 -103.62 132.11 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.75 72.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.91 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.3 m-30 -74.86 116.57 15.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.6 p -74.0 27.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.022 HG21 ' O ' ' A' ' 85' ' ' GLN . 13.1 m -133.91 147.57 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.374 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 54' ' ' SER . 58.1 m -88.69 134.97 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.914 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -43.55 172.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.967 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -75.07 151.07 96.35 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.078 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.589 ' CE2' ' ND2' ' A' ' 44' ' ' ASN . 25.6 m-85 -90.97 113.42 25.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.7 m-30 -97.03 124.87 41.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.73 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -89.85 134.24 34.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.799 ' HH2' HG11 ' A' ' 33' ' ' VAL . 59.1 t-105 -153.42 137.32 10.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.203 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 149.01 36.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.558 1.82 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.602 ' HB ' HG13 ' A' ' 78' ' ' VAL . 8.3 tt -113.68 123.17 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 68' ' ' TYR . 79.4 mt -90.6 116.76 28.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -53.11 -18.48 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.17 -16.77 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.72 33.47 21.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -109.63 -174.09 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.813 HG22 ' HB2' ' A' ' 22' ' ' ALA . 18.1 t -105.31 107.88 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 1.203 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 7.1 t80 -40.52 94.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.458 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 14.4 p -119.91 21.87 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.392 1.057 . . . . 0.0 110.002 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.513 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -101.83 -75.58 1.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 122.6 33.5 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.799 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -141.28 42.3 0.46 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.98 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.799 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -75.04 -101.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.971 ' C ' ' HE ' ' A' ' 77' ' ' ARG . . . 83.38 -83.18 1.62 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.719 ' O ' ' HG2' ' A' ' 77' ' ' ARG . . . -44.46 -103.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.972 ' O ' ' CD ' ' A' ' 77' ' ' ARG . 59.0 m-20 -58.46 127.03 30.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.972 ' CD ' ' O ' ' A' ' 76' ' ' ASP . 5.9 mmt180 -155.78 140.07 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.812 HG11 HG13 ' A' ' 16' ' ' VAL . 2.4 m -109.46 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.397 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.927 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.9 t -123.2 139.51 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -153.85 162.85 40.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.279 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.12 -112.15 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 1.279 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 35.7 tt0 -35.68 -62.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.192 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.7 OUTLIER -164.38 -78.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.919 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.59 21.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 1.428 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -81.28 27.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.161 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -24.26 117.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.927 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.26 -42.51 62.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.38 -139.08 5.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.426 1.079 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.973 HG12 ' SG ' ' A' ' 103' ' ' CYS . 89.7 t -147.16 91.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.774 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -85.76 165.79 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.12 158.0 24.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.613 ' H ' ' HA ' ' A' ' 75' ' ' ALA . 19.4 m170 -83.08 1.61 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.523 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -38.83 91.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.17 41.53 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.422 1.076 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.628 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -63.25 -9.37 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.709 ' C ' HD22 ' A' ' 99' ' ' ASN . 3.1 t 97.06 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.18 -131.43 9.05 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -95.22 3.4 54.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.709 HD22 ' C ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -64.39 159.69 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' A' ' 90' ' ' ILE . 11.9 m-85 -114.91 161.76 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.617 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.0 m -161.3 134.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -52.89 125.09 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.7 m -55.6 -164.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 -179.985 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.682 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -104.51 61.6 0.71 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 108.259 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -42.32 -27.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.809 ' CG ' HG21 ' A' ' 89' ' ' VAL . 70.2 m-85 -137.45 104.16 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.571 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -115.02 103.56 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.8 m -79.17 65.83 4.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.69 -46.01 3.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -161.77 47.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.78 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.6 -165.67 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.39 1.056 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.82 77.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 108.325 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.928 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.3 m-85 -91.41 43.68 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.842 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.1 p -24.91 148.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.9 p -37.49 -24.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 12' ' ' SER . 28.7 t -81.7 -23.91 36.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.928 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -81.84 -31.14 31.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.006 HG11 ' CD1' ' A' ' 86' ' ' LEU . 57.3 t -74.57 -63.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.526 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 3.9 t -38.94 -51.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -50.84 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.04 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.845 ' OE1' HG12 ' A' ' 16' ' ' VAL . 16.7 mt-30 -58.02 -54.68 44.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.11 -41.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.754 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -73.57 -50.97 18.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.591 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.86 -40.35 57.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.709 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.9 t80 -73.99 -73.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.26 -51.79 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.902 HD21 HG13 ' A' ' 33' ' ' VAL . 53.8 tp -67.15 -36.82 82.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 12.3 t60 -64.34 -43.87 93.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.625 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.19 -26.88 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 60.9 m-20 -78.91 -23.39 44.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.95 19.03 75.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.622 ' HB2' HD12 ' A' ' 26' ' ' LEU . 4.3 mm-40 -97.17 175.86 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.7 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 11.7 p -130.26 177.16 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.902 HG13 HD21 ' A' ' 26' ' ' LEU . 3.9 m -133.78 135.02 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 75.64 -145.65 33.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -97.96 -7.93 29.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.601 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -83.87 -166.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.9 p -123.43 41.3 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.7 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.3 m-85 -95.29 148.32 34.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.812 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.03 -173.15 11.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.916 -2.535 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.675 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 26.5 p80 179.78 171.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.63 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -54.22 168.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.917 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.771 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -160.29 -27.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.863 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 10.0 m120 52.52 -105.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 109.365 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.863 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 3.2 p30 152.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.805 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.43 -46.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.59 -19.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.03 56.32 0.46 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.602 1.189 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.864 ' CE1' HG22 ' A' ' 90' ' ' ILE . 85.3 m-85 -100.29 137.15 39.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.24 72.13 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.797 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.4 m-30 -77.1 101.83 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.6 p -71.74 33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.059 HG21 ' O ' ' A' ' 85' ' ' GLN . 22.2 m -137.23 149.56 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 54' ' ' SER . 3.4 m -85.97 130.84 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.841 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -42.37 171.29 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.992 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -74.88 153.16 99.02 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.982 -0.123 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 25.7 m-85 -94.2 111.76 23.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.904 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -94.48 147.26 23.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.7 pp20? -111.57 135.73 51.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.934 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 55.3 t-105 -154.41 143.81 15.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.934 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.02 152.29 40.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.546 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 15.2 tt -116.87 131.16 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.931 HD23 ' CE2' ' A' ' 68' ' ' TYR . 72.8 mt -94.5 122.86 37.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -61.51 -9.38 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.22 -11.66 37.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.82 34.29 27.94 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' C ' HD12 ' A' ' 62' ' ' LEU . 17.3 m-20 -114.77 -163.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 22' ' ' ALA . 10.4 t -114.18 124.16 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.931 ' CE2' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -72.43 102.88 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.951 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.588 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 31.6 p -98.96 -54.89 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.491 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -38.71 -41.84 1.31 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.66 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 85.6 34.88 12.6 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.792 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 46.3 t -125.71 42.63 0.8 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.754 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 15.48 91.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 140.68 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.629 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 13.0 m-20 -67.37 127.88 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.858 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -150.58 136.76 18.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.89 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -106.16 133.69 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.811 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.9 t -108.33 138.87 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.904 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -154.25 160.03 41.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.545 ' ND2' ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -99.18 -114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 1.346 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 0.8 OUTLIER -39.72 -60.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.197 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 0.9 OUTLIER -164.68 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.898 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.3 p30 -81.71 20.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 1.545 ' CG ' ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -81.01 36.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.006 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -30.01 114.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.811 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -79.37 -40.18 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.89 -143.31 8.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.92 HG12 ' SG ' ' A' ' 103' ' ' CYS . 36.8 t -147.35 91.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 0.794 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.864 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -83.73 163.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.855 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.74 158.68 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.401 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.745 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.5 m170 -90.44 -8.34 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.513 -179.935 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.09 -18.85 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.853 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -125.83 34.57 3.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.691 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -130.73 -44.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 77.03 55.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.428 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.37 -134.6 5.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.584 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 14.2 t-20 -93.57 -10.96 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 0.728 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.691 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -65.01 157.56 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.745 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -121.0 162.04 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.853 HG21 ' O ' ' A' ' 94' ' ' GLY . 32.7 m -161.21 134.08 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -56.5 123.46 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -55.52 -167.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.963 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.717 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -163.43 118.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.35 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER -135.15 -10.08 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.798 ' CB ' HG21 ' A' ' 89' ' ' VAL . 90.2 m-85 -129.23 95.72 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 9' ' ' ASN . 20.3 m -103.15 103.93 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.3 m -81.94 67.12 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.71 -54.75 0.96 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 p -132.46 53.73 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.469 0.747 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.824 HD22 ' CG ' ' A' ' 76' ' ' ASP . 5.3 m120 -141.03 -176.64 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.717 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -176.78 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 108.283 179.946 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.73 ' HE2' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER -124.77 100.15 6.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.427 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 79.6 p -63.73 178.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.405 ' HB3' HD21 ' A' ' 86' ' ' LEU . 1.4 p -51.46 -17.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.28 -28.83 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.707 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.84 -41.49 17.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.033 HG11 HD13 ' A' ' 86' ' ' LEU . 98.2 t -55.28 -45.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.504 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 39.5 t -36.76 -50.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -50.42 -54.77 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -57.49 -41.9 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.69 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.7 mt-30 -57.94 -55.14 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.78 -36.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.979 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.92 -53.45 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.745 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.01 -40.5 43.41 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 8.8 t80 -72.76 -68.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -35.15 -55.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.894 HD11 ' C ' ' A' ' 31' ' ' GLU . 20.6 tp -64.41 -34.33 77.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.861 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 26.5 t60 -67.35 -49.95 61.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -55.48 -27.47 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.18 -16.9 34.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.91 26.93 73.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.894 ' C ' HD11 ' A' ' 26' ' ' LEU . 59.6 mm-40 -108.99 170.89 7.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.76 HG21 ' HA ' ' A' ' 37' ' ' SER . 81.4 p -122.09 173.49 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.022 HG11 ' HH2' ' A' ' 59' ' ' TRP . 16.5 m -104.59 123.11 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.833 ' O ' ' OG ' ' A' ' 35' ' ' SER . . . -11.69 85.28 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.943 ' CB ' ' N ' ' A' ' 71' ' ' GLY . 51.6 m 154.99 -140.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' SER . 9.6 m-20 -49.94 -154.85 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.76 ' HA ' HG21 ' A' ' 32' ' ' THR . 19.2 p -108.85 38.43 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.65 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -82.99 141.34 43.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.881 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.92 -177.62 21.0 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 31.7 p-80 -176.25 166.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.612 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -45.15 168.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.709 ' O ' ' C ' ' A' ' 43' ' ' ASN . 18.9 t80 -151.79 12.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.709 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.5 m-80 -5.88 88.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.8 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 7.4 p30 -60.05 176.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.8 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.07 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.964 179.94 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -42.37 -21.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 118.56 56.02 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.744 ' CE1' HG22 ' A' ' 90' ' ' ILE . 85.5 m-85 -100.32 132.21 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.84 69.62 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 1.014 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.2 m-30 -72.45 118.35 15.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -76.29 25.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.984 HG21 ' O ' ' A' ' 85' ' ' GLN . 6.4 m -131.94 147.23 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.501 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.2 m -85.87 135.82 33.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.817 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 5.9 p -39.94 166.39 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 1.075 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -74.98 178.11 36.1 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.069 -0.082 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.595 ' CE2' ' ND2' ' A' ' 44' ' ' ASN . 22.8 m-85 -117.92 107.81 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.975 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -95.02 123.31 38.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.7 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.5 pt-20 -93.45 125.93 38.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 1.11 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 32.4 t-105 -142.64 150.78 55.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 107.978 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 1.11 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.97 151.85 40.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.524 ' CD1' HG22 ' A' ' 16' ' ' VAL . 21.1 tt -119.27 113.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 68' ' ' TYR . 97.4 mt -84.23 118.77 24.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t -54.64 -14.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -87.64 -12.67 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.07 34.26 33.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -108.71 -170.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.22 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.979 HG22 ' HB2' ' A' ' 22' ' ' ALA . 39.6 t -114.17 112.05 38.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.683 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 10.3 t80 -41.79 158.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.451 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.5 p -98.36 -24.5 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.807 ' HA2' HG23 ' A' ' 33' ' ' VAL . . . 127.99 151.67 7.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.514 1.133 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.943 ' N ' ' CB ' ' A' ' 35' ' ' SER . . . 101.98 -138.79 14.09 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.645 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 52.9 m -90.27 99.33 1.87 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.962 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.3 Cg_endo -74.9 4.48 4.65 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' C ' HH12 ' A' ' 77' ' ' ARG . . . 110.74 -102.09 1.45 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.724 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -141.77 -40.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 0.723 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.824 ' CG ' HD22 ' A' ' 9' ' ' ASN . 3.7 m-20 -62.4 132.02 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.665 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 15.6 mmt-85 -150.8 146.73 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.772 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.63 134.94 54.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.991 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -111.61 134.76 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.975 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -152.34 162.68 40.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.271 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.77 -107.13 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 1.271 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 24.4 tt0 -38.14 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.139 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.8 OUTLIER -164.2 -77.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.92 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -86.68 23.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 1.418 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.54 29.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.033 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -27.53 114.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.946 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.014 ' HB1' ' CG ' ' A' ' 50' ' ' PHE . . . -70.62 -38.45 73.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.499 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 168.92 -136.32 4.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.985 HG12 ' SG ' ' A' ' 103' ' ' CYS . 89.2 t -147.41 90.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.775 HD13 ' CG2' ' A' ' 79' ' ' VAL . 2.1 pt -85.99 165.36 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.724 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -155.54 147.31 23.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 -179.923 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.801 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.3 m170 -69.96 8.78 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.596 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -46.25 72.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.801 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 66.61 -55.58 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.686 ' HB1' ' HB2' ' A' ' 99' ' ' ASN . . . 40.07 23.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 94' ' ' GLY . 6.9 t 70.27 18.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.072 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 148.34 -128.47 2.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 19.1 t30 -95.76 7.86 45.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.686 ' HB2' ' HB1' ' A' ' 95' ' ' ALA . 1.8 m120 -66.07 -159.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.781 ' O ' HG13 ' A' ' 101' ' ' VAL . 46.3 m-85 -141.99 165.78 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 100' ' ' PHE . 21.6 m -163.73 135.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.607 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.05 125.93 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.341 179.93 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.8 m -55.51 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.342 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -125.56 -10.38 6.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.728 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 86.9 m-85 -131.18 88.11 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 9' ' ' ASN . 7.4 m -99.17 107.93 20.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.114 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 12.4 m -84.11 64.63 8.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.36 -54.06 0.64 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.458 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 15.0 p -130.56 54.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 0.796 . . . . 0.0 109.952 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.74 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -144.31 -175.09 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.61 61.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.728 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.82 97.23 4.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -63.15 179.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.495 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -50.85 -17.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -80.58 -30.29 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.66 -41.93 17.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.037 HG11 ' CD1' ' A' ' 86' ' ' LEU . 75.6 t -53.36 -51.14 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.525 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.3 t -35.7 -55.83 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.75 -50.55 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.03 -41.68 97.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.646 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.3 mt-30 -59.91 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -34.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.105 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.58 -56.55 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.587 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.55 -43.77 85.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.67 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 3.3 t80 -63.52 -63.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 21.2 tptm -38.78 -61.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.028 HD22 HG13 ' A' ' 33' ' ' VAL . 2.7 tp -57.84 -35.24 70.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.843 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.4 t60 -66.33 -51.05 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.75 -26.22 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -16.66 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.77 22.79 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' HD12 ' A' ' 26' ' ' LEU . 66.5 mm-40 -99.25 176.89 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.935 ' HA ' HD21 ' A' ' 26' ' ' LEU . 76.9 p -129.02 178.57 6.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.028 HG13 HD22 ' A' ' 26' ' ' LEU . 2.9 m -135.09 124.61 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.575 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 85.13 -149.77 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.1 p -95.85 -10.7 28.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -83.49 -163.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.6 p -126.44 46.17 2.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.7 m-85 -96.48 145.43 29.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.872 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -171.86 9.97 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.974 0.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.59 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.0 p80 -178.48 162.35 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -44.12 155.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 12.0 t80 -144.4 10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -7.94 88.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.785 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -51.11 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.785 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.46 -43.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -44.24 -20.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 119.11 54.91 0.27 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.3 m-85 -99.75 133.35 44.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.89 69.05 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.742 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 15.0 m-30 -75.75 102.68 5.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.9 p -71.42 29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.603 ' H ' ' C ' ' A' ' 50' ' ' PHE . 14.4 m -129.87 160.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.678 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.6 t -90.17 147.53 23.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.952 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.872 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -73.02 172.26 8.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.872 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.992 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.613 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-85 -98.18 128.19 44.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.0 m-30 -107.64 126.47 52.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 8.6 pt-20 -92.37 135.14 34.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.09 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 28.1 t-105 -146.74 149.86 37.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.09 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.97 151.93 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.413 1.744 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.91 HD12 ' CG1' ' A' ' 78' ' ' VAL . 9.3 tt -120.56 117.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 68' ' ' TYR . 88.2 mt -87.38 120.66 28.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -57.7 -10.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -90.03 -15.64 31.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.33 38.39 15.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -113.68 -172.73 2.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.105 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.0 t -109.46 108.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.74 ' OH ' ' N ' ' A' ' 72' ' ' SER . 17.5 t80 -43.73 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.429 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 30.3 p -162.37 52.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.648 ' O ' ' CE2' ' A' ' 68' ' ' TYR . . . -161.84 -167.85 22.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.498 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -101.18 -31.85 5.47 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 13.8 m -112.77 83.91 6.19 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.66 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.592 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 149.43 171.89 18.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.81 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -54.47 -45.24 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.631 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 7.6 m-20 -59.65 126.33 27.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.66 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -151.59 139.78 20.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.939 ' CG1' HG13 ' A' ' 16' ' ' VAL . 1.9 m -105.73 144.59 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.88 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -121.59 138.81 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.903 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -147.39 -161.64 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.813 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.1 OUTLIER -133.35 -164.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.638 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.5 tt0 -92.79 19.8 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.813 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.74 -30.18 9.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 110.96 21.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.837 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 56.0 mt-30 -96.04 -175.09 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.037 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -128.96 127.16 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.88 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.7 -39.89 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.519 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 165.13 -137.82 4.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 103' ' ' CYS . 19.7 t -147.98 96.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.806 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -90.64 166.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.81 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.11 150.18 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.732 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.5 m170 -76.43 15.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.74 87.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 35.21 40.27 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.702 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -58.28 -13.06 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.1 t 99.59 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.008 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.44 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 122.04 -131.94 8.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -94.58 9.57 38.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.754 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.702 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -73.26 158.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.732 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -112.03 167.58 10.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.3 m -162.68 133.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -53.69 125.71 19.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.251 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.114 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.2 m -56.48 -168.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -128.96 -11.03 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.765 ' CB ' HG21 ' A' ' 89' ' ' VAL . 91.1 m-85 -130.17 91.28 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 111.046 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 9' ' ' ASN . 53.5 m -100.22 103.99 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 9.3 m -81.72 65.41 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.7 -55.09 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 12.2 p -130.55 54.52 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.787 ' O ' HG23 ' A' ' 5' ' ' THR . 1.0 OUTLIER -143.23 -176.23 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.728 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.97 101.26 6.49 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -62.72 178.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.461 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -51.89 -17.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.3 t -81.7 -29.39 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.74 -42.59 16.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.045 HG11 HD13 ' A' ' 86' ' ' LEU . 62.0 t -50.26 -50.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' VAL . 12.2 t -36.22 -53.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.81 -54.47 7.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.787 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.56 -41.71 86.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 11.0 mt-30 -59.48 -54.9 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -38.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.921 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.84 -53.14 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -56.37 -41.82 88.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.173 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.656 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 8.8 t80 -67.89 -67.23 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 24.1 tptm -42.15 -53.29 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.961 ' CD2' HG13 ' A' ' 33' ' ' VAL . 11.1 tp -62.9 -35.13 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.872 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.8 t60 -65.75 -47.01 76.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.618 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -62.93 -25.05 68.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.5 m-20 -84.49 -22.11 30.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 24.03 69.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.502 1.127 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.936 ' C ' HD11 ' A' ' 26' ' ' LEU . 24.3 mm-40 -100.91 176.8 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 0.795 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.9 p -128.01 -178.33 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.961 HG13 ' CD2' ' A' ' 26' ' ' LEU . 13.2 m -136.43 131.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 72.38 -149.87 44.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.2 p -97.66 14.24 27.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 0.0 109.943 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -102.76 -167.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -123.01 40.1 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -97.25 145.94 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.587 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.0 -171.58 9.59 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.962 0.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.616 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.3 p80 179.46 162.62 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.58 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.13 168.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.708 ' O ' ' C ' ' A' ' 43' ' ' ASN . 33.2 t80 -151.03 12.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.708 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.2 m-80 -7.63 85.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -53.25 158.23 1.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.386 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -166.95 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.7 mm-40 -43.26 -21.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.69 57.18 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.695 ' CZ ' ' OH ' ' A' ' 42' ' ' TYR . 81.9 m-85 -100.02 133.24 44.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 0.816 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.45 74.59 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.749 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 18.2 m-30 -81.06 109.01 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -75.11 28.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.06 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' A' ' 50' ' ' PHE . 5.2 m -129.87 158.53 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.693 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 m -88.08 149.7 23.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.889 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -74.71 173.36 6.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.889 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.5 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.031 -0.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.7 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.1 m-85 -97.29 127.3 43.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.872 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 12.4 m-30 -107.9 123.82 49.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.9 pt-20 -92.34 128.95 38.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.018 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 25.2 t-105 -144.03 148.24 41.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.018 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.02 153.19 41.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.787 HG13 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tt -123.73 114.99 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 68' ' ' TYR . 60.6 mt -84.07 121.46 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -7.72 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -88.99 -20.01 24.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.41 8.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.405 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -112.64 -172.66 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.921 HG22 ' HB2' ' A' ' 22' ' ' ALA . 23.8 t -111.24 108.12 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.534 1.146 . . . . 0.0 109.198 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.894 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.4 t80 -40.13 138.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.595 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 18.3 p -149.29 60.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.605 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -159.84 -144.99 4.13 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.737 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.21 -31.85 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 74' ' ' GLY . 84.1 p -116.3 82.65 12.0 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.669 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 43.67 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.056 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 71.28 -97.48 0.68 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.692 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -154.01 -37.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.725 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.7 m-20 -59.51 132.33 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.725 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.6 mmt-85 -151.43 145.15 25.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.952 ' CG1' HG13 ' A' ' 16' ' ' VAL . 5.5 m -113.27 138.9 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 82.2 t -114.24 137.79 46.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.843 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.5 p90 -148.85 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.783 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -140.48 -171.32 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.656 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 11.1 tp10 -87.42 12.0 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.106 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.25 -23.23 13.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.182 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.65 24.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.106 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.7 mt-30 -106.34 133.36 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.045 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.3 131.84 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.17 -39.0 63.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 167.96 -137.08 4.4 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.98 HG12 ' SG ' ' A' ' 103' ' ' CYS . 86.1 t -148.39 90.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.833 HD13 ' CG2' ' A' ' 79' ' ' VAL . 1.6 pt -86.78 166.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.692 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -160.84 150.21 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.611 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.8 m170 -73.4 16.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.716 HG22 ' H ' ' A' ' 94' ' ' GLY . 98.6 m -58.71 -125.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.716 ' H ' HG22 ' A' ' 93' ' ' THR . . . -68.76 49.83 0.48 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -81.74 -31.01 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.9 t 80.5 36.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.053 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.61 -134.24 5.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.162 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -96.68 8.13 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.513 ' ND2' ' H ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -69.98 -165.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.708 ' O ' HG13 ' A' ' 101' ' ' VAL . 38.4 m-85 -141.25 166.18 25.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 100' ' ' PHE . 32.6 m -162.47 134.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.4 125.66 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.9 m -55.42 -165.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.64 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -39.59 -29.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.158 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.3 m-85 -139.25 109.32 6.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.547 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -118.28 106.15 12.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -80.72 66.5 6.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.3 -47.49 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.448 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.8 p -157.96 49.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.807 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -124.27 -166.8 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.64 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.46 76.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.333 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.888 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m-85 -90.67 50.78 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.798 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -27.76 152.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 p -39.15 -23.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.052 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.0 t -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.888 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -82.31 -22.28 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.158 HG21 ' CE2' ' A' ' 4' ' ' TYR . 42.9 t -76.46 -71.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.521 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -41.6 -54.02 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -49.51 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.603 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -60.76 -43.75 97.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 1.061 ' OE1' HG12 ' A' ' 16' ' ' VAL . 8.3 mt-30 -61.52 -58.95 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.88 -36.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.963 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.65 -53.2 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -56.26 -44.44 89.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.584 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.2 t80 -69.48 -63.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 0.769 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 23.0 tptm -34.73 -61.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.98 HD22 HG13 ' A' ' 33' ' ' VAL . 3.0 tp -58.57 -38.22 77.43 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.851 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.2 t60 -64.04 -49.36 72.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -59.31 -26.98 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -88.36 -16.12 33.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.78 22.31 74.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.523 ' HB2' HD12 ' A' ' 26' ' ' LEU . 65.5 mm-40 -99.57 176.06 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.885 ' HA ' HD21 ' A' ' 26' ' ' LEU . 79.1 p -126.76 -178.5 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.172 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.98 HG13 HD22 ' A' ' 26' ' ' LEU . 3.5 m -136.16 123.08 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.565 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 83.32 -148.91 25.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -96.15 -8.66 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.602 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -84.31 -163.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 39' ' ' PRO . 52.6 p -125.99 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -97.62 147.37 32.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.878 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -166.04 4.6 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.995 -0.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.644 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.3 p80 179.63 166.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -46.65 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 33.3 t80 -154.64 14.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.6 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -52.93 172.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.793 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 176.54 -43.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -44.75 -20.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.6 56.69 0.35 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.709 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 78.1 m-85 -100.46 132.01 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 69.08 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.985 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.7 m-30 -76.77 108.5 9.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -77.0 25.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.526 HG23 ' CE1' ' A' ' 56' ' ' TYR . 9.0 m -125.92 155.42 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.722 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 17.0 m -88.54 145.94 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.869 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -68.95 172.17 5.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.869 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 157.53 99.52 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.985 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.693 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.9 m-85 -98.06 129.35 44.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.914 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.5 m-30 -110.32 126.0 53.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.644 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.9 pp20? -87.24 140.46 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.943 ' O ' ' N ' ' A' ' 78' ' ' VAL . 55.1 t-105 -156.21 144.86 14.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.939 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 146.74 32.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.445 1.761 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.512 HG22 ' CB ' ' A' ' 76' ' ' ASP . 12.4 tt -114.56 116.66 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.612 1.195 . . . . 0.0 109.22 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 66' ' ' ASP . 21.8 mt -87.27 124.46 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.19 0.48 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -99.09 -14.47 19.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.15 39.8 9.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.753 ' HB2' HD13 ' A' ' 62' ' ' LEU . 2.3 m-20 -113.29 -172.08 2.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.963 HG22 ' HB2' ' A' ' 22' ' ' ALA . 6.6 t -117.55 105.06 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.939 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.5 t80 -43.49 91.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' VAL . 87.1 p -101.68 36.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.684 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -137.72 -162.55 9.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.669 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -111.22 -23.16 5.88 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.8 p -115.49 89.01 20.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.789 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.04 -49.7 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.457 1.767 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.64 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 148.24 -109.68 0.47 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.661 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -131.96 -40.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 0.812 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.669 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -64.51 137.7 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.789 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 18.4 mmt-85 -152.91 140.32 19.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.079 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -105.39 127.07 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.161 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.4 t -104.62 122.56 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.1 p90 -135.49 -160.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.853 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -135.9 -166.31 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.612 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 13.9 tt0 -89.03 6.34 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.115 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -96.95 -22.38 16.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.71 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.52 22.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.115 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.5 mt-30 -107.42 130.33 54.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.079 ' CD2' HG23 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -87.93 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.161 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -69.29 -45.07 70.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.758 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 175.77 -132.52 2.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.931 HG12 ' SG ' ' A' ' 103' ' ' CYS . 42.1 t -150.93 95.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.73 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.732 HD13 HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -87.26 170.22 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.722 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.13 147.29 12.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.163 . . . . 0.0 110.424 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.661 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 16.7 m170 -64.43 -1.17 1.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.577 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.514 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -80.95 169.86 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 33.96 40.84 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.793 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -116.23 150.54 37.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 0.808 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.859 ' N ' HD21 ' A' ' 99' ' ' ASN . 24.3 t -87.82 32.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.496 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 149.24 -130.96 3.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.6 t-20 -91.59 6.59 45.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.367 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.859 HD21 ' N ' ' A' ' 96' ' ' SER . 4.5 p30 -63.51 -163.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.674 ' CD1' HG13 ' A' ' 90' ' ' ILE . 41.0 m-85 -139.04 166.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.643 HG13 ' O ' ' A' ' 100' ' ' PHE . 35.0 m -161.22 131.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.2 OUTLIER -54.8 124.72 17.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 69.6 m -56.1 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.726 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.458 ' N ' ' HB3' ' A' ' 12' ' ' SER . 1.0 OUTLIER -137.84 -4.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.832 ' CG ' HG21 ' A' ' 89' ' ' VAL . 90.1 m-85 -134.68 92.59 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 9' ' ' ASN . 9.6 m -98.87 104.54 16.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.9 m -81.46 62.92 5.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.7 -54.27 1.66 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 26.3 p -132.05 51.28 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 0.811 . . . . 0.0 110.044 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.738 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.58 -175.25 4.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.726 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.97 59.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.267 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.728 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -124.74 100.24 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.953 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.458 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 65.0 p -64.63 -179.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -52.42 -17.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.84 -30.65 32.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.076 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.703 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.92 -40.67 18.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.095 HG11 ' CD1' ' A' ' 86' ' ' LEU . 71.4 t -53.26 -52.13 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.444 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 8.6 t -36.59 -54.08 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.15 -52.77 14.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.816 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.45 -42.23 91.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.668 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.4 mt-30 -60.35 -57.5 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.06 -36.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.051 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -70.13 -56.31 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.566 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.04 -42.67 87.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.65 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.1 t80 -64.92 -63.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.98 -60.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.376 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.966 HD22 HG13 ' A' ' 33' ' ' VAL . 2.2 tp -58.1 -34.7 70.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 61.6 t60 -66.55 -51.98 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.588 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -57.11 -26.95 61.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -17.0 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.69 23.37 72.84 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.49 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.2 mm-40 -97.91 175.91 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 0.798 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.897 ' HA ' HD21 ' A' ' 26' ' ' LEU . 67.4 p -127.33 177.72 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.966 HG13 HD22 ' A' ' 26' ' ' LEU . 2.7 m -137.58 150.49 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.374 1.046 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 61.71 -156.6 35.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.063 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -97.27 32.2 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -127.42 -165.97 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.391 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.5 p -120.25 42.8 2.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.17 . . . . 0.0 110.02 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -95.1 150.6 37.92 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.868 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 -169.07 7.02 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.047 -0.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.531 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 21.5 p80 -177.94 168.92 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.519 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -48.1 169.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 26.3 t80 -154.43 13.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.3 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.777 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -51.9 168.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.777 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.37 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.17 -20.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.98 56.53 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.738 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.8 m-85 -101.41 132.63 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.26 70.13 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.85 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 17.3 m-30 -75.77 107.34 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.5 p -74.85 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.559 ' H ' ' C ' ' A' ' 50' ' ' PHE . 5.0 m -127.2 155.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.644 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.3 t -88.79 143.59 26.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.87 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -64.07 171.88 2.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.87 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 157.79 99.4 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.023 -0.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-30 -99.39 119.32 37.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.925 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -101.25 130.54 47.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -92.76 142.69 27.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.836 ' O ' ' N ' ' A' ' 78' ' ' VAL . 27.2 t-105 -161.39 141.14 7.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.173 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.11 148.97 35.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.816 HG13 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tt -118.43 116.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 68' ' ' TYR . 47.0 mt -81.88 122.03 27.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.2 p -57.62 -14.86 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.15 -18.48 46.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.04 12.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.16 -173.38 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.051 HG22 ' HB2' ' A' ' 22' ' ' ALA . 5.1 t -108.22 102.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.173 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -43.09 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.414 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 55.5 p -127.67 37.93 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -112.66 -65.19 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.91 17.29 6.93 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.738 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.4 m -141.68 45.86 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.738 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.792 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.883 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 23.87 93.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.857 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.71 -101.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.668 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.8 m-20 -71.01 129.37 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.883 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -151.33 133.4 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.974 ' CG1' HG13 ' A' ' 16' ' ' VAL . 4.2 m -107.32 122.95 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.958 ' O ' ' N ' ' A' ' 87' ' ' ALA . 75.5 t -96.09 136.17 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.925 ' O ' ' N ' ' A' ' 57' ' ' TYR . 8.6 p90 -147.17 -164.72 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.755 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.01 -171.71 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.689 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 22.8 tt0 -88.02 18.18 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.093 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -109.62 -23.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.33 23.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.093 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.1 mt-30 -106.5 133.55 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.095 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.47 132.5 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.19 -38.46 63.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.691 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 168.94 -144.45 8.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.978 HG12 ' SG ' ' A' ' 103' ' ' CYS . 84.5 t -143.28 91.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.738 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -86.36 165.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.857 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -159.19 146.24 17.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.632 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 12.7 m170 -65.09 -14.38 60.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -73.69 167.82 20.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 38.15 39.58 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.943 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -117.78 174.52 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 0.8 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.489 ' N ' ' ND2' ' A' ' 99' ' ' ASN . 10.8 t -105.17 45.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.703 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 129.34 -122.43 3.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 3.0 t-20 -93.98 3.89 54.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.943 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -63.24 -175.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 101' ' ' VAL . 42.0 m-85 -129.76 163.98 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.06 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 100' ' ' PHE . 28.6 m -162.57 133.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -52.55 125.41 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.238 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.2 m -56.12 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.51 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.487 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -131.45 -7.12 3.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.734 ' CB ' HG21 ' A' ' 89' ' ' VAL . 78.4 m-85 -133.99 77.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.19 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.496 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -87.76 104.56 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.0 m -81.5 63.82 5.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.579 1.175 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.27 -54.42 0.62 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 10.9 p -129.96 52.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.753 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.14 -174.97 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -129.21 96.17 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 110.954 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 43.5 p -61.43 179.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.487 ' HB3' HD21 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -51.65 -17.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.032 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.8 t -82.02 -30.07 31.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.683 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.51 -40.31 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.997 HG11 HD13 ' A' ' 86' ' ' LEU . 96.4 t -56.45 -48.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.509 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.4 t -37.45 -52.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.65 -53.7 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -57.57 -42.96 84.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.509 ' CD ' ' HA ' ' A' ' 17' ' ' SER . 11.1 mt-30 -57.61 -55.79 30.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.55 -34.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.034 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.35 -55.88 6.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.54 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.29 -43.08 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.591 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.0 t80 -65.12 -63.54 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 8.6 tptp -39.16 -62.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.943 HD22 HG13 ' A' ' 33' ' ' VAL . 2.5 tp -56.56 -37.2 70.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.6 t60 -63.55 -49.6 72.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.58 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -59.7 -26.58 65.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -17.06 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.29 23.72 73.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.8 mm-40 -99.99 174.55 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.348 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.829 ' HA ' HD21 ' A' ' 26' ' ' LEU . 73.4 p -123.97 -178.42 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.943 HG13 HD22 ' A' ' 26' ' ' LEU . 2.2 m -140.68 133.55 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.433 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 77.1 -152.55 40.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -96.42 4.16 52.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.939 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.616 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -98.89 -163.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 p -124.77 45.92 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.949 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.616 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -97.71 148.33 34.29 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.84 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -171.59 9.61 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.046 -2.481 . . . . 0.0 111.013 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.636 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 -177.24 156.54 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.632 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -40.97 155.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.716 ' CE2' HD12 ' A' ' 90' ' ' ILE . 1.3 t80 -149.67 -37.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.827 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 57.55 -98.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.3 p-10 152.24 175.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.34 -48.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.641 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.8 mm-40 -44.99 -18.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.497 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.58 55.59 0.45 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.48 1.113 . . . . 0.0 111.096 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.969 ' CE1' HG22 ' A' ' 90' ' ' ILE . 90.5 m-85 -99.27 135.17 41.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 63.9 2.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.832 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 13.6 m-30 -66.49 98.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -72.02 27.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.976 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.611 ' H ' ' C ' ' A' ' 50' ' ' PHE . 13.5 m -124.84 157.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.615 1.197 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.701 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.0 m -88.2 143.83 26.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.836 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -66.4 171.09 4.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.836 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.99 157.12 99.81 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.65 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.6 m-85 -98.88 115.99 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.919 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.4 m-30 -98.71 131.82 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.699 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 3.2 pt-20 -95.51 138.51 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.83 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 24.9 t-105 -154.66 145.42 16.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.2 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 149.02 36.09 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.596 HG13 ' HB2' ' A' ' 19' ' ' ALA . 5.1 tt -116.69 121.83 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 66' ' ' ASP . 56.9 mt -89.41 122.69 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -6.83 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.69 -17.03 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.23 36.88 10.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.616 ' HB2' HD13 ' A' ' 62' ' ' LEU . 2.1 m-20 -110.66 -169.51 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.034 HG22 ' HB2' ' A' ' 22' ' ' ALA . 8.6 t -114.18 105.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.2 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.8 t80 -46.45 102.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.407 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 59.9 p -116.04 44.06 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 1.056 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -155.15 129.41 2.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.459 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -50.7 -8.07 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.55 ' H ' ' C ' ' A' ' 70' ' ' GLY . 87.7 p -114.0 82.32 6.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.805 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.753 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.699 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 145.6 -108.5 0.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.569 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -131.48 -44.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.67 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 19.8 m-20 -62.47 132.71 53.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.717 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 12.1 mmt-85 -150.28 145.25 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -115.75 136.33 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.949 ' O ' ' N ' ' A' ' 87' ' ' ALA . 71.4 t -111.73 136.1 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.919 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.9 p90 -145.91 -162.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.789 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -136.1 -171.77 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.672 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 14.9 tt0 -87.68 17.17 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.105 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -108.67 -22.82 12.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.706 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.92 24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.105 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.2 mt-30 -106.95 133.6 51.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.997 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.08 131.78 34.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.949 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.46 -42.05 65.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.62 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 172.03 -143.17 7.31 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' SG ' ' A' ' 103' ' ' CYS . 88.0 t -144.64 91.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.969 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -87.07 166.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.629 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -163.05 153.45 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.645 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.7 m170 -76.31 13.37 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -48.12 88.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.355 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.39 41.51 0.1 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.685 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -59.52 -11.62 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.5 t 98.08 46.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.051 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.435 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 122.67 -130.04 7.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.85 4.76 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.685 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -67.56 162.47 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.739 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.0 m-85 -114.99 168.37 9.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.1 m -162.72 133.56 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -58.51 124.83 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.7 m -55.51 -164.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.103 . . . . 0.0 108.298 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.449 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.492 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.417 ' N ' ' HB2' ' A' ' 12' ' ' SER . 11.1 m-20 -129.38 -7.69 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.857 ' CG ' HG21 ' A' ' 89' ' ' VAL . 84.3 m-85 -133.93 88.04 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.47 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 6.1 m -95.86 105.74 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 30.1 m -82.36 61.8 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.73 -55.71 1.7 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 23.0 p -130.8 52.16 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.747 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.714 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.94 -174.5 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.07 61.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.745 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.05 98.19 5.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 13' ' ' SER . 1.2 t -63.59 179.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.502 ' N ' ' OG ' ' A' ' 12' ' ' SER . 1.6 p -50.84 -17.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -81.29 -30.46 33.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.725 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.01 -41.88 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.961 HG13 ' CG1' ' A' ' 78' ' ' VAL . 49.2 t -49.37 -49.68 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -40.66 -51.2 3.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.1 m -46.66 -58.48 3.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.838 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -55.81 -43.84 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.572 ' OE1' ' HB2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -58.38 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.9 -35.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.76 -53.45 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.383 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.588 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -57.3 -41.66 93.13 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.66 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 9.9 t80 -66.45 -67.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 56.0 tptt -43.07 -51.65 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.945 HD11 ' C ' ' A' ' 31' ' ' GLU . 11.8 tp -63.83 -35.17 79.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.859 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 48.8 t60 -65.84 -45.64 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.572 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.601 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.41 -23.8 66.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 13.4 m-20 -83.42 -23.09 32.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.22 22.46 68.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.945 ' C ' HD11 ' A' ' 26' ' ' LEU . 20.5 mm-40 -100.2 -179.24 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.57 ' N ' HD11 ' A' ' 26' ' ' LEU . 70.3 p -135.29 -179.65 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.877 HG13 ' CD2' ' A' ' 26' ' ' LEU . 4.4 m -136.38 137.05 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 70' ' ' GLY . . . 70.58 -152.55 50.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.573 1.17 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -97.95 23.67 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.622 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -114.72 -166.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . 7.1 p -122.71 40.69 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -94.64 145.81 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.588 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -75.09 -172.09 10.32 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.033 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.495 ' CE1' ' OE2' ' A' ' 58' ' ' GLU . 32.4 p80 178.98 167.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 17.1 tptm -45.47 161.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.707 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 29.5 t80 -146.13 11.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.704 ' C ' ' O ' ' A' ' 42' ' ' TYR . 6.0 m-80 -7.3 86.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.769 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -53.14 171.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.769 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.73 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -44.23 -20.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.57 56.08 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.774 ' CE1' HG22 ' A' ' 90' ' ' ILE . 83.9 m-85 -100.8 132.55 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.59 70.89 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.885 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 18.3 m-30 -76.84 106.5 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.6 p -74.6 27.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.958 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG11 ' O ' ' A' ' 86' ' ' LEU . 6.5 m -126.58 157.29 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.698 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 7.5 t -89.34 146.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.866 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -69.49 171.63 6.64 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.866 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.02 157.01 99.86 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.976 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.733 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.3 m-85 -98.87 126.65 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.859 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.2 m-30 -106.89 124.67 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 13.8 pt-20 -91.93 137.94 31.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.845 ' O ' ' N ' ' A' ' 78' ' ' VAL . 26.3 t-105 -155.77 144.71 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.032 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.023 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 145.8 31.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.838 HG13 ' HB2' ' A' ' 19' ' ' ALA . 2.4 tt -116.41 113.87 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 68' ' ' TYR . 65.4 mt -82.6 119.39 24.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -15.17 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -80.44 -19.38 46.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.1 33.93 11.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.45 -173.71 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 16.4 t -112.02 104.71 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.023 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.5 t80 -42.54 95.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.475 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.5 p -97.54 3.12 50.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.655 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -96.32 -158.81 31.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.761 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -145.5 28.54 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.66 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 60.2 p -147.01 50.98 1.04 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.66 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.05 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.95 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 8.08 99.64 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.841 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 157.24 -70.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.228 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.729 ' HB3' HG23 ' A' ' 61' ' ' ILE . 56.8 m-20 -114.58 131.8 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.95 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -151.42 140.82 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.961 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.1 m -113.39 123.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.913 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.7 t -96.08 134.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.849 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.4 p90 -147.25 -159.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.771 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -139.41 -172.41 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.684 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 6.6 tt0 -86.06 10.77 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.093 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.02 -23.62 14.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.703 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.92 23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.093 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.8 mt-30 -104.99 133.83 49.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.028 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -85.16 131.74 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.913 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.32 -43.33 57.14 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 175.28 -138.74 4.41 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.975 HG12 ' SG ' ' A' ' 103' ' ' CYS . 92.5 t -148.92 89.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.774 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.83 165.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.841 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 1.1 t -163.27 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.638 ' NE2' ' CE1' ' A' ' 100' ' ' PHE . 14.0 m-70 -92.11 -25.53 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.652 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -17.42 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.798 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -120.04 31.23 5.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.966 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -132.97 133.32 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.508 ' N ' HD21 ' A' ' 99' ' ' ASN . 29.5 t -86.99 30.39 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.36 -132.66 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.0 t-20 -94.66 -4.41 47.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.966 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 2.9 p30 -64.82 173.02 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.647 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 27.2 m-85 -124.51 166.81 15.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 94' ' ' GLY . 21.0 m -161.78 135.15 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -54.11 126.67 23.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.27 -163.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.661 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.422 ' OD1' ' HA ' ' A' ' 12' ' ' SER . 6.8 m-20 -39.58 -29.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.076 ' CE2' HG21 ' A' ' 16' ' ' VAL . 76.6 m-85 -139.85 112.46 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.704 HG23 ' H ' ' A' ' 9' ' ' ASN . 2.2 m -121.49 106.19 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.8 m -80.29 68.03 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.63 -48.78 3.94 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.6 p -158.48 49.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.776 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.97 -166.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.8 t -171.65 77.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.898 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.1 m-85 -91.09 51.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.794 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -28.51 152.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.003 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.8 p -39.01 -23.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.8 t -80.36 -26.37 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.948 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -81.79 -22.17 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.076 HG21 ' CE2' ' A' ' 4' ' ' TYR . 13.1 t -74.18 -71.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 23.1 t -40.82 -53.55 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.87 -49.32 20.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.898 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -61.54 -44.5 96.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 1.019 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.3 mt-30 -61.87 -57.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.03 -41.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.999 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.58 -56.74 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.616 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.39 -43.05 65.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.637 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 2.8 t80 -67.06 -69.13 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -42.92 -54.29 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.011 HD21 HG13 ' A' ' 33' ' ' VAL . 58.3 tp -61.4 -33.25 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.852 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 38.5 t60 -68.88 -50.76 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -56.73 -25.41 54.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -85.5 -19.72 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.19 23.72 77.0 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HB2' HD12 ' A' ' 26' ' ' LEU . 44.7 mm-40 -98.42 175.32 6.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.466 0.744 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 80.3 p -128.76 179.37 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.011 HG13 HD21 ' A' ' 26' ' ' LEU . 5.0 m -136.11 128.76 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.53 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.14 -145.7 29.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.1 p -96.25 -14.67 22.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 110.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.575 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 3.1 m-20 -76.36 -165.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 5.3 p -125.9 42.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.59 144.59 28.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.814 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.93 -173.59 12.55 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.003 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.487 ' NE2' ' CD ' ' A' ' 58' ' ' GLU . 31.7 p80 179.12 154.72 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.467 1.104 . . . . 0.0 109.539 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' HIS . 7.7 ttpt -40.53 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.743 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -154.92 -28.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.819 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 49.35 -98.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.819 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.2 p-10 153.86 173.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.99 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.1 mp0 -45.61 -18.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.66 55.75 0.45 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.844 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.0 m-85 -99.67 132.51 44.96 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.25 61.76 3.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.847 ' CD1' ' HB1' ' A' ' 87' ' ' ALA . 13.9 m-30 -65.15 100.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.22 22.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.631 HG23 ' HE1' ' A' ' 56' ' ' TYR . 16.1 m -122.74 161.91 23.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.025 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 64.8 m -83.6 175.79 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.878 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -102.69 172.27 4.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.878 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -75.0 158.88 98.73 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.972 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -96.87 123.17 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.861 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.5 m-30 -103.33 136.75 42.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -101.96 140.63 35.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.055 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 46.4 t-105 -155.58 148.41 18.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.055 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.11 150.75 38.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.032 ' HB ' HG12 ' A' ' 78' ' ' VAL . 10.1 tt -114.58 131.37 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.735 HD23 ' CE2' ' A' ' 68' ' ' TYR . 46.1 mt -96.52 122.53 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.8 t -68.29 7.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -109.64 -8.66 14.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 39.67 23.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.566 ' HB2' HD13 ' A' ' 62' ' ' LEU . 8.7 m-20 -120.68 -162.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.999 HG22 ' HB2' ' A' ' 22' ' ' ALA . 15.4 t -119.31 122.19 68.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.826 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -76.03 113.91 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.904 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 51.9 p -135.0 57.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 72' ' ' SER . . . -139.07 -5.15 1.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.53 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 78.27 -19.87 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 70' ' ' GLY . 3.8 m -114.42 78.7 4.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.826 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.95 -54.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.629 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.69 -107.02 0.44 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.58 1.175 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.815 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -128.2 -42.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 0.719 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.686 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.1 133.94 56.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.824 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 mmt-85 -152.0 142.25 22.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.054 HG23 HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -109.66 126.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.029 ' O ' ' N ' ' A' ' 87' ' ' ALA . 60.3 t -103.59 137.44 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.861 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -146.33 -158.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.025 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.15 -168.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.611 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 11.0 tt0 -89.64 15.25 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.085 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -105.93 -22.64 12.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.38 21.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.085 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.0 mt-30 -108.62 132.41 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.058 ' CD1' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -89.31 136.32 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.365 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.029 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -68.22 -44.37 75.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.653 ' O ' HD11 ' A' ' 86' ' ' LEU . . . 174.25 -132.93 2.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.913 HG12 ' SG ' ' A' ' 103' ' ' CYS . 44.7 t -149.97 93.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.844 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -86.05 171.06 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.698 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -165.21 151.14 9.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.815 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 8.2 m170 -79.43 12.93 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.4 m -48.23 84.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 33.72 35.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.718 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -51.45 -36.81 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.748 ' N ' HD21 ' A' ' 99' ' ' ASN . 13.3 t 136.84 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 117.2 -117.95 3.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.6 t-20 -95.25 -9.67 32.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.748 HD21 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.03 150.84 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.769 ' CD1' HG13 ' A' ' 90' ' ' ILE . 21.3 m-85 -105.36 171.62 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.0 m -163.36 132.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -59.11 125.75 24.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 85.4 m -55.89 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 0.0 108.26 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.392 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.658 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -28.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.144 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.9 m-85 -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.57 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.0 m -118.39 102.45 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 25.3 m -78.78 66.22 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 108.335 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 -48.71 3.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -158.93 48.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.801 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.36 -167.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.658 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.6 t -171.87 76.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.894 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 15.9 m-85 -90.85 48.48 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.824 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -25.31 149.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 15.0 p -38.48 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.0 t -82.03 -24.73 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.894 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -81.86 -26.79 33.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.144 HG21 ' CE2' ' A' ' 4' ' ' TYR . 96.6 t -77.42 -69.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' VAL . 45.7 t -36.57 -51.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -48.7 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 1.015 ' OE1' HG12 ' A' ' 16' ' ' VAL . 14.7 mt-30 -59.43 -56.69 18.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.54 -39.92 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.055 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.56 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -54.62 -42.6 77.56 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.661 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.2 t80 -65.53 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.5 tptm -39.69 -59.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.99 HD22 HG13 ' A' ' 33' ' ' VAL . 2.7 tp -59.67 -33.74 71.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 51.6 t60 -67.44 -50.72 58.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.601 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.81 -26.1 63.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -18.91 25.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.11 66.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HB2' HD12 ' A' ' 26' ' ' LEU . 7.2 mm-40 -97.47 175.63 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.237 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.866 ' HA ' HD21 ' A' ' 26' ' ' LEU . 64.4 p -127.04 177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.99 HG13 HD22 ' A' ' 26' ' ' LEU . 2.5 m -139.59 134.74 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 78.87 -151.07 35.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -96.15 -6.51 38.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 0.763 . . . . 0.0 109.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.614 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -89.99 -163.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.2 p -124.16 46.49 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -95.19 147.53 33.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.876 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.98 -168.21 6.29 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.016 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.62 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.2 p80 179.93 163.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 15.8 ttpp -50.61 152.2 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.787 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -147.09 -32.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.848 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.5 m-80 51.96 -96.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.848 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.8 p-10 153.03 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.361 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.44 -47.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.634 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 49.7 mt-10 -45.87 -19.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.09 55.33 0.41 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.897 ' CE1' HG22 ' A' ' 90' ' ' ILE . 95.7 m-85 -98.63 136.23 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.97 67.87 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.744 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.0 m-30 -73.52 97.84 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -73.14 29.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.74 HG23 ' HE1' ' A' ' 56' ' ' TYR . 16.5 m -127.14 159.53 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.651 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 15.7 t -87.54 144.09 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.949 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.868 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -68.85 172.0 5.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.05 159.17 98.35 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.946 0.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.74 ' HE1' HG23 ' A' ' 52' ' ' VAL . 20.3 m-85 -100.8 116.47 32.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.942 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.8 m-30 -98.6 137.45 37.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.62 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.9 pp20? -102.7 135.71 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.02 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 33.1 t-105 -149.02 148.07 25.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 107.96 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.02 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.609 HD11 ' HB3' ' A' ' 11' ' ' TYR . 15.6 tt -120.09 129.97 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.807 HD23 ' CE2' ' A' ' 68' ' ' TYR . 73.5 mt -95.59 123.22 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.5 m -64.7 -0.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -103.03 -8.37 20.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.79 40.62 30.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.474 ' C ' HD12 ' A' ' 62' ' ' LEU . 5.4 m-20 -121.41 -166.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.055 HG22 ' HB2' ' A' ' 22' ' ' ALA . 24.0 t -108.48 123.29 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.807 ' CE2' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -74.06 137.29 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.469 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.9 p -156.5 63.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.506 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . -138.49 -58.66 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.666 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 131.2 -20.15 4.77 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 38.3 t -120.02 61.49 7.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.766 ' HA ' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.99 48.52 2.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.773 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.98 -110.77 3.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.761 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -140.91 -30.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.643 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -62.17 126.83 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.643 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.1 mmt-85 -148.6 145.2 27.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.797 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -104.82 138.1 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.9 t -112.42 137.73 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.942 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.7 p90 -147.96 -163.93 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.696 ' ND2' ' HB2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -134.53 -172.68 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.661 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 8.9 tp10 -87.27 14.74 7.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -105.86 -23.96 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.93 24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.696 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 50.1 mt-30 -105.95 134.65 48.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.126 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -87.71 130.6 34.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.8 -35.25 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 159.22 -139.26 6.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' SG ' ' A' ' 103' ' ' CYS . 37.8 t -147.73 98.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.897 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -84.2 162.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.76 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -165.86 162.74 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.761 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 12.2 m170 -92.63 -5.63 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.83 -20.71 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.684 ' C ' HG21 ' A' ' 101' ' ' VAL . . . -132.2 38.07 1.95 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.865 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -127.65 -45.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.4 t 74.73 54.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.498 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.4 -134.98 5.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 98' ' ' ASN . 0.3 OUTLIER -92.79 -11.24 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 0.809 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.865 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -63.61 160.44 16.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.4 m-85 -121.87 165.3 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 100' ' ' PHE . 30.2 m -163.78 134.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -57.21 121.66 10.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.5 m -54.32 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' HB2' ' OG ' ' A' ' 12' ' ' SER . 7.3 m-20 -65.16 -19.16 65.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.232 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.755 ' CG ' HG21 ' A' ' 89' ' ' VAL . 87.8 m-85 -122.85 145.54 48.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER -153.06 105.63 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.445 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.197 ' CB ' ' SG ' ' A' ' 103' ' ' CYS . 21.2 m -81.61 61.93 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 -55.37 1.03 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.475 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 23.4 p -128.2 53.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 0.765 . . . . 0.0 109.947 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.695 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.24 -175.13 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.24 66.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 108.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.707 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.91 100.03 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -61.98 -177.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -55.14 -15.81 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.6 t -82.48 -31.26 29.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.67 -37.79 24.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.039 HG11 HD12 ' A' ' 86' ' ' LEU . 67.9 t -58.29 -54.03 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.45 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -36.59 -53.71 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.35 -51.5 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.59 -42.26 98.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 10.0 mt-30 -58.48 -57.46 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.42 -35.6 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.036 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.2 -56.69 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.616 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.91 -43.29 87.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.675 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t80 -64.03 -62.88 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.954 HD22 HG13 ' A' ' 33' ' ' VAL . 3.4 tp -57.72 -34.02 69.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.9 t60 -66.62 -51.97 50.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -55.68 -27.79 52.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.62 -16.15 33.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.78 23.43 74.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.92 175.31 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.951 ' HA ' HD21 ' A' ' 26' ' ' LEU . 72.4 p -129.61 173.14 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.646 1.216 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.954 HG13 HD22 ' A' ' 26' ' ' LEU . 2.0 m -128.6 132.6 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.8 -152.86 39.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 m -94.01 -12.45 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.617 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -80.24 -162.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 90.6 p -126.13 47.94 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.947 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.617 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -100.55 143.66 26.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.864 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.96 -169.97 7.82 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.007 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.583 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 35.1 p80 -177.88 162.01 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.54 151.56 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.743 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.7 t80 -143.89 -38.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.84 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 1.4 m-80 59.41 -100.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.84 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.5 p-10 153.04 178.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 168.26 -46.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 111.068 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.601 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 9.3 mm-40 -47.29 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.87 53.63 0.48 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 90' ' ' ILE . 91.8 m-85 -97.29 135.17 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 68.5 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.785 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -74.63 94.23 2.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.1 p -69.98 31.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.645 HG23 ' HE1' ' A' ' 56' ' ' TYR . 12.6 m -129.28 159.48 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.66 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 24.6 m -87.64 146.41 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.864 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -70.29 171.76 7.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.864 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.95 158.86 98.73 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.996 0.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -100.16 116.94 33.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.898 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.7 m-30 -98.98 134.87 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.629 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.2 pt-20 -103.22 129.06 50.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.111 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 13.3 t-105 -142.79 151.78 57.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.111 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.664 ' HB ' HG13 ' A' ' 78' ' ' VAL . 2.6 tt -119.88 123.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 68' ' ' TYR . 96.0 mt -90.73 124.57 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -16.68 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -86.76 -19.93 28.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.05 31.99 18.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.17 -173.29 2.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.036 HG22 ' HB2' ' A' ' 22' ' ' ALA . 51.3 t -102.1 109.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.704 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 35.6 t80 -47.51 172.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.686 ' O ' ' N ' ' A' ' 34' ' ' GLY . 69.3 p -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.679 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . 131.06 149.33 6.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.519 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 110.56 -103.85 1.7 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.55 ' C ' ' OH ' ' A' ' 68' ' ' TYR . 52.3 p -112.6 81.34 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.787 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -74.99 51.79 2.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.67 -91.43 0.17 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.762 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -159.76 -38.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.728 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 9.8 m-20 -59.8 132.6 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.728 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 3.3 mmt-85 -152.17 147.0 25.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.937 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.4 m -115.89 134.94 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.887 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.0 t -109.61 138.83 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.898 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -148.76 -159.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.74 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -138.11 -171.91 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.675 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 7.8 tt0 -86.97 11.21 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.105 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.68 -24.09 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.715 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.03 23.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.105 HE21 ' ND2' ' A' ' 83' ' ' ASN . 34.3 mt-30 -104.96 134.68 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.075 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -84.69 132.77 34.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.21 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.887 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.88 -43.39 54.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 89' ' ' VAL . . . 172.26 -130.95 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.8 ' O ' ' N ' ' A' ' 103' ' ' CYS . 57.3 t -153.66 94.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.8 pt -89.89 167.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.762 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.3 150.98 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.425 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.634 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.0 m-70 -75.69 13.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.604 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -48.57 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.16 42.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.708 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -58.59 -11.58 3.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 0.82 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.7 t 98.68 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.463 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 121.81 -131.82 8.66 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.6 t-20 -95.1 11.72 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.708 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -75.07 164.29 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.785 ' O ' HG13 ' A' ' 101' ' ' VAL . 26.8 m-85 -116.92 166.97 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.785 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.7 m -163.98 138.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -50.15 129.31 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.197 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 12.3 m -53.63 -24.29 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 5' ' ' THR . 10.0 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.587 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' CYS . 70.5 m-20 -39.35 -29.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.094 ' CE2' HG21 ' A' ' 16' ' ' VAL . 75.3 m-85 -138.98 112.85 8.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER -121.2 109.29 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 0.0 110.42 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.6 m -82.63 63.04 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.63 -45.17 3.32 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -160.13 48.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.766 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.81 -165.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 46.7 t -173.06 78.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.898 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.9 51.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -28.13 152.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 p -38.92 -23.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -80.9 -26.17 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -81.8 -23.4 36.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.094 HG21 ' CE2' ' A' ' 4' ' ' TYR . 22.3 t -72.61 -70.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.419 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 5.2 t -39.55 -53.13 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.91 -49.22 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.789 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -60.53 -44.19 96.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.748 ' OE1' HG12 ' A' ' 16' ' ' VAL . 13.7 mt-30 -58.92 -56.5 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.46 -39.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.089 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.81 -55.61 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.531 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -55.03 -41.6 78.15 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.698 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.6 t80 -69.96 -66.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.568 0.805 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.4 tptp -43.48 -55.67 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.943 ' CD2' HG13 ' A' ' 33' ' ' VAL . 12.7 tp -60.5 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.858 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 40.9 t60 -66.65 -47.33 72.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.606 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.77 -24.54 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-20 -85.09 -23.81 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.74 23.11 70.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.932 ' C ' HD11 ' A' ' 26' ' ' LEU . 22.9 mm-40 -97.74 176.16 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 78.5 p -130.05 174.68 9.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.943 HG13 ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -137.07 133.61 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.481 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 78.89 -150.19 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.5 p -96.77 -5.16 39.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 0.736 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.604 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -87.76 -164.33 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . 22.1 p -124.05 43.43 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.5 m-85 -94.27 145.64 30.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.625 1.203 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -172.95 11.48 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.975 0.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.2 p80 176.76 162.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.657 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 2.0 tttp -43.38 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.758 ' CE2' HD12 ' A' ' 90' ' ' ILE . 32.7 t80 -151.93 13.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.01 87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -48.38 160.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -171.57 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.812 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 24.2 mt-10 -44.44 -20.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.175 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.88 54.85 0.39 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.711 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 87.4 m-85 -98.53 135.67 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.24 68.43 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.893 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.5 m-30 -75.96 106.72 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -76.4 25.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.649 HG23 ' CE1' ' A' ' 56' ' ' TYR . 15.4 m -125.01 156.65 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.74 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.6 t -88.03 148.24 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.879 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -73.06 172.84 7.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.879 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.99 158.12 99.2 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.99 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.689 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.2 m-85 -98.8 130.39 45.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.915 ' N ' ' O ' ' A' ' 80' ' ' PHE . 11.3 m-30 -110.29 121.16 44.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.622 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.23 132.1 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.129 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 31.0 t-105 -147.89 150.18 35.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.129 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 148.83 35.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 19' ' ' ALA . 11.9 tt -113.28 120.3 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 68' ' ' TYR . 62.0 mt -85.97 127.85 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -67.6 2.94 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -107.61 -11.17 15.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.18 41.41 17.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.534 ' C ' HD12 ' A' ' 62' ' ' LEU . 4.3 m-20 -126.56 -174.11 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.089 HG22 ' HB2' ' A' ' 22' ' ' ALA . 61.9 t -96.3 122.76 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.703 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 63.1 t80 -69.63 167.59 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.635 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 53.8 p -164.4 71.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.481 ' CA ' ' HA3' ' A' ' 34' ' ' GLY . . . -174.61 -154.91 11.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.672 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . -120.53 -23.21 2.9 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.577 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 8.4 p -112.63 70.01 1.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.846 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.1 Cg_endo -75.0 52.37 3.04 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.756 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 62.17 2.48 4.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 74' ' ' GLY . . . 93.39 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.69 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.03 135.57 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.607 1.192 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.796 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 2.9 mmt-85 -150.27 138.34 20.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.073 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -105.12 126.13 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.114 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -102.87 124.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.915 ' O ' ' N ' ' A' ' 57' ' ' TYR . 9.2 p90 -137.97 -161.45 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.763 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -134.54 -169.79 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.698 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 14.7 tt0 -88.19 13.29 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.763 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -104.13 -24.44 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.96 22.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.676 HE21 ' ND2' ' A' ' 83' ' ' ASN . 49.1 mt-30 -106.9 131.75 53.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.074 HD22 ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -89.52 135.44 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.114 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.5 -43.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.762 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 175.57 -129.51 1.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.805 HG12 ' SG ' ' A' ' 103' ' ' CYS . 54.7 t -157.17 92.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.831 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -88.27 176.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.608 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.65 146.29 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.701 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 9.8 m-70 -72.46 10.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.657 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.17 86.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.53 37.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.717 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . . . -50.94 -36.08 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.713 ' N ' HD21 ' A' ' 99' ' ' ASN . 13.0 t 137.17 40.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.72 -118.68 4.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.5 t-20 -95.03 -8.16 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.717 ' ND2' ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -61.43 168.87 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.831 ' CD1' HG13 ' A' ' 90' ' ' ILE . 32.6 m-85 -120.64 172.23 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.062 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 100' ' ' PHE . 23.4 m -164.59 134.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.48 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.4 mt-10 -50.03 131.69 23.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 13.5 m -53.83 -28.95 38.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 5' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.494 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.487 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.5 OUTLIER -129.38 -7.73 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.824 ' CG ' HG21 ' A' ' 89' ' ' VAL . 81.7 m-85 -133.92 84.07 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.483 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.3 m -93.22 104.43 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -81.28 63.11 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.384 1.053 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.36 -53.59 0.86 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.451 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 22.5 p -131.53 51.32 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.755 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -141.37 -175.62 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.64 61.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.23 97.01 4.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.487 ' HB2' ' N ' ' A' ' 3' ' ' ASP . 3.2 t -64.69 179.54 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.477 ' N ' ' OG ' ' A' ' 12' ' ' SER . 5.3 p -51.09 -17.34 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.5 t -81.96 -29.87 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.679 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.48 -42.92 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.95 HG11 ' HG ' ' A' ' 86' ' ' LEU . 72.7 t -52.13 -51.4 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 12.2 t -35.35 -55.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.03 -50.62 35.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -62.58 -41.65 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.695 ' OE1' HG12 ' A' ' 16' ' ' VAL . 8.9 mt-30 -60.06 -55.96 27.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -37.33 -34.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.978 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.25 -55.78 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.626 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.24 -42.13 87.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.638 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.5 t80 -67.48 -61.8 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 0.716 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.0 tptp -38.83 -60.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.015 HD22 HG13 ' A' ' 33' ' ' VAL . 2.2 tp -59.82 -32.86 71.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.823 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 49.9 t60 -67.61 -53.08 31.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 109.576 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -55.62 -27.18 48.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.15 -17.24 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.97 73.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.33 175.57 6.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.984 ' HA ' HD21 ' A' ' 26' ' ' LEU . 24.3 p -129.43 171.89 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.015 HG13 HD22 ' A' ' 26' ' ' LEU . 2.3 m -125.6 134.3 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.66 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 75.65 -154.9 46.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 -14.97 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.692 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.3 m-20 -78.79 -158.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 30.8 p -128.88 52.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.692 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -104.56 142.88 25.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.84 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.92 -167.0 5.27 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.037 -0.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.6 p80 -179.34 163.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.6 155.24 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.717 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.3 t80 -148.85 -34.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.839 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 54.09 -96.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.839 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.0 p-10 153.39 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.802 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.54 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.65 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 mt-10 -46.19 -18.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.19 54.99 0.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.903 ' CE1' HG22 ' A' ' 90' ' ' ILE . 88.2 m-85 -101.5 134.64 44.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.26 66.52 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -70.1 94.97 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.13 29.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.857 HG23 ' CE1' ' A' ' 56' ' ' TYR . 20.8 m -121.66 160.27 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.663 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.9 t -89.6 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.833 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -64.71 170.22 4.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.075 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.833 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.95 159.04 98.58 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.975 -2.511 . . . . 0.0 111.018 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.857 ' CE1' HG23 ' A' ' 52' ' ' VAL . 19.7 m-85 -99.95 117.14 33.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.918 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -98.73 131.44 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.643 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 11.9 pt-20 -101.64 130.21 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.935 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.5 t-105 -140.71 145.82 41.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.935 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 139.01 23.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.651 HG23 ' HB3' ' A' ' 76' ' ' ASP . 5.8 tt -112.55 113.51 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.85 HD21 ' HD1' ' A' ' 68' ' ' TYR . 54.6 mt -82.81 124.99 30.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -53.88 -21.4 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -15.77 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.18 34.5 29.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.59 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.978 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.1 t -102.38 103.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.85 ' HD1' HD21 ' A' ' 62' ' ' LEU . 36.8 t80 -42.32 144.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 60.2 p -98.22 27.23 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.74 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 67.74 158.38 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.504 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 135.11 -127.94 4.56 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -117.7 73.44 8.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.817 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.98 5.09 4.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.773 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -32.41 112.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.23 -56.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.651 ' HB3' HG23 ' A' ' 61' ' ' ILE . 66.9 m-20 -130.71 121.88 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.603 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 1.8 mmm-85 -148.05 139.21 23.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.915 ' CG1' HG13 ' A' ' 16' ' ' VAL . 2.4 m -110.27 131.2 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.934 ' O ' HD22 ' A' ' 86' ' ' LEU . 76.1 t -105.54 136.88 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -148.21 -165.42 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.874 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.48 -168.63 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.638 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 6.6 tp10 -89.09 27.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.104 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -112.67 -27.18 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.359 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.12 22.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.104 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.0 mt-30 -98.68 -173.52 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.95 ' HG ' HG11 ' A' ' 16' ' ' VAL . 1.2 tm? -132.93 128.25 36.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.901 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.97 -36.43 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.191 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.918 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 166.21 -142.13 7.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.961 HG12 ' SG ' ' A' ' 103' ' ' CYS . 83.2 t -147.49 89.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.903 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -83.68 165.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.714 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.63 153.73 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.639 ' NE2' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m-70 -78.83 -6.3 55.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -34.19 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.22 37.56 0.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.69 -15.45 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.62 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.1 t 96.94 41.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.47 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 123.63 -130.75 7.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.2 t-20 -95.19 5.46 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.61 ' ND2' ' H ' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -70.48 158.95 35.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 101' ' ' VAL . 17.1 m-85 -112.52 164.85 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 100' ' ' PHE . 33.8 m -161.64 134.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.364 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -56.52 124.49 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.5 m -54.91 -167.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.545 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.582 ' N ' ' OG ' ' A' ' 12' ' ' SER . 2.3 m-20 -129.72 -9.03 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.758 ' CG ' HG21 ' A' ' 89' ' ' VAL . 85.7 m-85 -132.07 72.05 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.468 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.7 m -83.11 103.71 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 16.8 m -80.88 61.26 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.324 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 -55.63 0.79 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 28.5 p -127.32 49.81 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 110.065 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.732 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -141.93 -175.78 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.545 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 1.5 t -176.95 61.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.752 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.5 97.85 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.062 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 3.7 m -61.16 179.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.949 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -16.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 t -82.63 -29.93 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.667 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -83.73 -40.12 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.699 HG11 ' HG ' ' A' ' 86' ' ' LEU . 96.9 t -56.56 -48.5 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.525 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -37.72 -53.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -46.95 -52.2 15.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.605 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.718 ' HG2' HG21 ' A' ' 78' ' ' VAL . 10.9 mt-30 -57.47 -56.2 25.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.47 -35.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.018 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.49 -56.82 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.617 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.52 -42.21 83.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.594 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 5.5 t80 -67.2 -63.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 22.3 tptm -38.94 -61.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.899 HD21 ' HA ' ' A' ' 32' ' ' THR . 3.0 tp -57.44 -36.65 71.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.837 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 62.2 t60 -64.16 -50.54 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.583 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.87 -29.02 64.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -86.34 -15.42 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.73 21.55 78.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.3 mm-40 -97.7 174.37 6.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.382 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.899 ' HA ' HD21 ' A' ' 26' ' ' LEU . 42.3 p -128.08 175.25 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.893 HG13 HD22 ' A' ' 26' ' ' LEU . 1.9 m -130.49 133.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 77.07 -155.47 44.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.41 -15.74 26.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.775 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -78.43 -155.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.49 ' H ' ' HB3' ' A' ' 36' ' ' ASN . 6.2 p -130.78 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.775 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.11 142.75 25.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.819 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -168.24 6.32 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.005 0.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.597 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 33.4 p80 -177.8 163.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.602 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.27 157.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.718 ' HE2' HD12 ' A' ' 90' ' ' ILE . 1.2 t80 -150.24 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.83 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 53.07 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.83 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.4 p-10 153.64 176.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.806 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.39 -46.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.611 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.8 mm-40 -47.35 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.43 54.12 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.862 ' CE1' HG22 ' A' ' 90' ' ' ILE . 84.9 m-85 -99.45 133.59 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.31 65.72 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -71.15 95.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -72.24 29.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.068 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.827 HG23 ' CE1' ' A' ' 56' ' ' TYR . 18.8 m -121.98 160.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.672 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -91.11 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.817 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -63.42 169.24 4.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.817 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.03 158.54 98.9 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.965 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.827 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.4 m-85 -100.01 117.77 34.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.911 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.2 m-30 -99.31 133.03 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.642 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -102.93 130.4 49.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.938 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 23.9 t-105 -141.09 146.39 43.07 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.611 1.194 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.938 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.98 138.17 22.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.705 ' HB ' HG12 ' A' ' 78' ' ' VAL . 2.7 tt -110.67 116.18 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.859 HD21 ' HD1' ' A' ' 68' ' ' TYR . 65.9 mt -86.72 123.56 32.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.33 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -15.63 58.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 34.69 29.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.36 -178.0 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.018 HG22 ' HB2' ' A' ' 22' ' ' ALA . 29.4 t -103.33 103.0 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.859 ' HD1' HD21 ' A' ' 62' ' ' LEU . 39.3 t80 -43.09 146.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.687 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 32.9 p -99.12 28.11 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.71 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 63.66 156.5 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.465 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 139.13 -120.95 1.99 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.426 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -121.9 71.49 30.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.817 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.89 3.66 5.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -32.09 111.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.48 -57.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.203 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.611 ' HB3' HG23 ' A' ' 61' ' ' ILE . 63.8 m-20 -130.05 121.21 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.641 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 1.7 mmm-85 -146.8 144.9 29.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.102 HG23 HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -112.62 138.28 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.0 t -113.92 129.81 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.1 p90 -143.34 -163.67 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.901 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.29 -166.63 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.597 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 12.5 tt0 -90.5 23.22 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.109 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -109.07 -28.09 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.34 21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.109 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.1 mt-30 -96.83 -172.73 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.102 HD23 HG23 ' A' ' 78' ' ' VAL . 1.5 tm? -133.4 127.31 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.962 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.03 -35.28 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.896 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 165.33 -142.47 7.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.967 HG12 ' SG ' ' A' ' 103' ' ' CYS . 81.0 t -147.39 91.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.862 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -84.0 164.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.697 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -162.94 160.4 24.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.61 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.6 m-70 -85.96 -6.39 59.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -31.89 90.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.4 40.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.723 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.41 -39.69 88.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 0.708 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.776 ' N ' HD21 ' A' ' 99' ' ' ASN . 13.2 t 136.91 42.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.48 -118.58 4.69 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.437 1.085 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.0 OUTLIER -94.73 -7.96 39.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.776 HD21 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.42 149.26 39.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.759 ' O ' HG13 ' A' ' 101' ' ' VAL . 16.6 m-85 -105.8 167.5 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.759 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.4 m -163.14 134.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -56.1 124.35 17.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.3 m -56.1 -162.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 108.285 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.075 . . . . 0.0 110.349 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.562 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.491 ' N ' ' OG ' ' A' ' 12' ' ' SER . 9.1 m-20 -118.88 -10.13 9.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.796 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 88.3 m-85 -131.98 81.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.525 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.6 m -93.29 104.19 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -80.48 62.57 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.265 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.76 -53.94 0.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 35.2 p -130.13 50.92 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 0.823 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.749 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -141.31 -176.18 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.562 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -176.49 62.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.318 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.796 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.35 97.55 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 0.9 OUTLIER -60.43 176.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.972 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -17.98 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.77 -29.37 32.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.54 -40.42 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.008 ' CG1' HD13 ' A' ' 86' ' ' LEU . 78.1 t -55.7 -51.71 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.461 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 33.9 t -37.1 -52.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.15 -52.88 18.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -58.7 -42.39 88.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HG2' HG21 ' A' ' 78' ' ' VAL . 13.8 mt-30 -57.01 -56.45 21.58 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.9 -37.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.014 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -68.25 -59.6 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.598 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.46 -37.98 68.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.731 ' OH ' ' C ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.56 -64.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptm -37.32 -62.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.028 HD22 HG13 ' A' ' 33' ' ' VAL . 2.0 tp -57.93 -35.72 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.2 t60 -65.89 -50.68 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.62 -26.64 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -16.97 29.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.215 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.94 22.18 72.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.416 1.073 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 7.3 mm-40 -98.24 176.13 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.996 ' HA ' HD21 ' A' ' 26' ' ' LEU . 20.7 p -129.6 168.01 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.028 HG13 HD22 ' A' ' 26' ' ' LEU . 1.3 m -124.15 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.749 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 80.65 -156.76 39.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -92.01 -13.46 30.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.698 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -82.01 -157.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 95.7 p -127.5 51.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.698 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -103.14 142.84 25.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.826 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.027 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.604 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.6 p80 -177.89 168.63 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.491 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.9 tppp? -54.3 156.05 3.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.723 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -149.29 -34.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.818 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 54.3 -99.49 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.818 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.1 p-10 154.05 173.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 172.74 -46.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.949 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -47.02 -17.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.98 54.09 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.805 ' CE1' HG22 ' A' ' 90' ' ' ILE . 84.8 m-85 -99.16 130.43 45.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.55 63.65 4.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -67.84 93.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -68.31 29.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.691 HG23 ' HE1' ' A' ' 56' ' ' TYR . 6.8 m -127.2 157.67 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.625 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 60.8 m -87.59 141.75 28.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.868 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -65.6 172.01 3.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 159.58 97.78 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.691 ' HE1' HG23 ' A' ' 52' ' ' VAL . 20.7 m-85 -101.49 116.34 32.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.998 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -98.22 142.86 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.712 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.5 pp20? -106.08 142.42 35.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.937 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 34.8 t-105 -156.39 145.52 15.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 108.031 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.937 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 136.25 20.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 76' ' ' ASP . 5.8 tt -109.65 113.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.84 HD21 ' HD1' ' A' ' 68' ' ' TYR . 51.9 mt -85.9 124.59 32.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 p -55.59 -19.01 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -77.72 -17.5 57.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.25 37.88 20.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -112.15 -176.41 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.014 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.7 t -106.11 100.49 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.84 ' HD1' HD21 ' A' ' 62' ' ' LEU . 19.9 t80 -45.02 148.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.749 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 31.7 p -98.28 18.41 16.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.725 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 70.96 155.9 1.87 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.554 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 141.81 -118.44 1.32 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -121.02 67.78 16.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.948 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.812 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 6.14 3.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.784 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -33.61 112.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.62 -60.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.652 ' HB3' HG23 ' A' ' 61' ' ' ILE . 53.8 m-20 -125.96 121.17 32.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.644 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -145.77 144.93 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.858 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.49 138.3 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.415 1.072 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.2 t -114.88 134.36 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.998 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -147.31 -167.16 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.762 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -131.41 -172.15 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.731 ' C ' ' OH ' ' A' ' 24' ' ' TYR . 6.1 tt0 -88.18 13.64 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.096 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.81 -22.9 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.71 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.94 26.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.096 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.0 mt-30 -110.03 133.55 53.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.008 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.33 131.69 34.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.9 -39.31 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.619 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 166.03 -142.59 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.991 HG12 ' SG ' ' A' ' 103' ' ' CYS . 90.7 t -143.49 92.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.437 0.728 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.805 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.56 164.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.211 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.713 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -158.04 151.34 23.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.879 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.2 m-70 -77.19 -9.57 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.63 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -32.36 74.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.879 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 65.16 -58.69 0.09 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 1.032 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . 45.8 7.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 0.808 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.689 ' H ' ' C ' ' A' ' 94' ' ' GLY . 2.2 t 82.79 10.52 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.061 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 162.35 -138.28 5.3 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.71 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.9 t-20 -94.53 -2.95 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.239 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 1.032 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 6.7 p30 -62.51 -169.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.818 ' O ' HG13 ' A' ' 101' ' ' VAL . 50.1 m-85 -129.09 166.39 19.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.818 HG13 ' O ' ' A' ' 100' ' ' PHE . 17.5 m -164.13 134.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -54.2 124.9 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.7 m -53.51 -171.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.646 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.425 ' OD1' ' HA ' ' A' ' 12' ' ' SER . 5.1 m-20 -41.49 -28.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.161 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.3 m-85 -141.33 113.91 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 9' ' ' ASN . 6.9 m -122.6 106.83 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 29.6 m -80.6 68.14 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.16 -48.66 3.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.597 1.186 . . . . 0.0 111.066 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -158.23 49.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.07 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.775 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -123.1 -166.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.2 t -171.96 78.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.879 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.44 53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 5.3 p -28.74 152.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 p -39.28 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.1 t -81.72 -25.69 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.879 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -83.08 -21.59 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.161 HG21 ' CE2' ' A' ' 4' ' ' TYR . 26.9 t -74.52 -71.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.471 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 15.5 t -41.46 -53.33 3.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -48.65 -48.64 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -59.51 -44.57 93.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 1.046 ' OE1' HG12 ' A' ' 16' ' ' VAL . 6.9 mt-30 -62.9 -58.24 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.57 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.069 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.03 -55.9 6.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.581 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.07 -44.34 94.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 4.2 t80 -65.33 -63.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.9 tptp -38.07 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.951 HD21 ' HA ' ' A' ' 32' ' ' THR . 4.8 tp -56.38 -36.77 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.836 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.0 t60 -63.85 -50.29 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.597 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -58.05 -27.77 63.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.05 -15.06 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.65 24.42 76.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 26' ' ' LEU . 12.2 mm-40 -101.86 176.88 5.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.951 ' HA ' HD21 ' A' ' 26' ' ' LEU . 74.8 p -129.03 176.57 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.941 HG13 HD22 ' A' ' 26' ' ' LEU . 2.4 m -130.15 129.98 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.69 -150.8 36.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.71 -10.47 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -80.87 -164.12 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 3.8 p -126.38 46.18 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.8 m-85 -99.21 144.19 27.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.891 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 -171.07 8.88 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.979 -0.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -177.33 157.98 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -46.11 150.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.738 ' HE2' HD12 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -142.67 -34.55 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.81 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 55.68 -96.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.81 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.9 p-10 152.84 178.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.227 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 173.45 -47.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 7.2 mt-10 -47.29 -17.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.475 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.03 53.65 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.093 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.833 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 92.4 m-85 -96.2 133.05 40.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.32 61.43 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.833 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.1 m-30 -66.79 97.51 0.47 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.152 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.7 p -73.98 25.46 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.902 HG23 ' CE1' ' A' ' 56' ' ' TYR . 27.0 m -116.71 161.23 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.679 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.2 m -89.62 136.24 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.852 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.23 170.39 5.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.971 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.852 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.09 157.75 99.32 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.036 0.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.902 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.5 m-85 -97.89 121.39 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.907 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -101.26 133.09 46.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.601 1.188 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 6.9 pt-20 -100.54 135.85 41.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.4 t-105 -151.0 149.67 25.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 107.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 154.37 42.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.689 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.5 tt -119.29 115.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.758 HD11 ' HA ' ' A' ' 68' ' ' TYR . 89.7 mt -83.41 124.27 30.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.3 p -57.73 -12.14 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -91.89 -11.94 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.99 37.2 33.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -114.08 -174.11 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.069 HG22 ' HB2' ' A' ' 22' ' ' ALA . 50.0 t -100.27 109.53 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.822 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 22.9 t80 -43.85 170.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' C ' ' A' ' 33' ' ' VAL . 48.0 p -95.81 -52.5 4.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.694 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 143.08 151.2 5.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.651 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 94.09 -108.44 3.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.62 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.6 t -102.31 96.8 7.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.036 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.854 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.4 Cg_endo -74.95 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.561 1.822 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 76' ' ' ASP . . . 155.96 45.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.702 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . 68.19 -49.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.694 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.1 m-20 -56.66 128.23 35.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.854 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -151.24 136.53 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.082 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -101.96 130.94 50.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.009 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.1 t -106.76 129.0 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.907 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.4 p90 -143.01 -162.33 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.895 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -135.05 -164.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.568 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.18 21.1 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.247 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.114 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -106.18 -28.24 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.74 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 108.25 19.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.114 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.3 mt-30 -95.58 -173.33 2.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.082 ' CD2' HG23 ' A' ' 78' ' ' VAL . 1.5 tm? -136.7 128.12 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.009 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.41 -32.8 64.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.82 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 159.8 -147.24 14.14 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.896 HG12 ' SG ' ' A' ' 103' ' ' CYS . 45.6 t -139.14 92.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.779 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.29 167.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.681 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.98 143.74 12.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.353 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.702 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 5.3 m-70 -73.6 23.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -57.8 82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.09 37.2 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.768 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -69.64 -4.24 18.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.768 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 19.5 t 122.8 29.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 96.71 -93.1 1.44 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.448 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -94.88 16.6 15.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.754 ' ND2' ' HB3' ' A' ' 96' ' ' SER . 4.5 m-20 -84.78 163.49 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.754 ' O ' HG13 ' A' ' 101' ' ' VAL . 25.1 m-85 -126.1 160.27 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 100' ' ' PHE . 24.0 m -162.92 132.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.609 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.47 122.18 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 82.0 m -53.9 -171.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.383 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.761 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.451 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -136.07 -7.99 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.777 ' CB ' HG21 ' A' ' 89' ' ' VAL . 88.3 m-85 -132.48 92.3 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 9' ' ' ASN . 16.2 m -100.45 107.85 19.68 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.135 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.2 m -84.18 65.18 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 -53.19 0.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.458 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -131.37 53.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 0.745 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.764 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.45 -176.01 4.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.761 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.14 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 0.0 108.253 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.717 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.66 100.46 6.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 58.5 p -64.11 179.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.92 -17.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -80.7 -30.6 36.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.717 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.29 -40.11 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.943 HG13 ' CG1' ' A' ' 78' ' ' VAL . 78.8 t -54.74 -51.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 43.6 t -36.21 -54.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.944 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.63 -50.46 24.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.453 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.0 -41.69 97.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.366 1.041 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 6.9 mt-30 -60.26 -59.43 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.95 -39.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.922 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -69.18 -57.12 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 27' ' ' HIS . . . -55.79 -47.94 75.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.672 ' CE2' ' OE1' ' A' ' 28' ' ' GLU . 6.4 t80 -53.74 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.5 tptp -41.44 -65.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.945 HD23 ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -55.53 -28.7 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.877 ' CD2' ' CD2' ' A' ' 57' ' ' TYR . 73.8 t60 -73.04 -52.86 12.79 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.672 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -55.34 -26.32 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.27 -13.14 55.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.13 21.28 79.25 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.616 ' HB2' HD12 ' A' ' 26' ' ' LEU . 69.0 mm-40 -106.56 169.44 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.607 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -131.54 157.78 42.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.874 ' HB ' ' C ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -72.61 122.57 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.642 ' O ' ' CB ' ' A' ' 35' ' ' SER . . . -46.41 104.36 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.424 1.077 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.849 ' HB2' ' CA ' ' A' ' 70' ' ' GLY . 2.7 m 147.64 -29.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.783 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.775 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 2.8 m-20 -152.4 -162.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.503 ' C ' ' CG2' ' A' ' 32' ' ' THR . 19.1 p -112.61 35.29 3.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.699 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.6 OUTLIER -97.78 144.92 28.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.945 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.89 -169.33 7.21 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.004 -0.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.584 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.0 p80 178.96 165.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 2.9 ttpm? -49.1 168.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.749 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 19.1 t80 -154.72 13.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 6.3 m-80 -10.49 87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.791 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -47.47 168.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 178.73 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -45.87 -20.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.24 55.82 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.726 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 82.5 m-85 -100.89 133.08 45.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.37 71.23 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -79.28 104.96 10.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -75.5 26.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.547 ' H ' ' C ' ' A' ' 50' ' ' PHE . 16.3 m -124.12 161.92 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.731 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 75.1 m -88.52 153.37 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.864 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -83.27 171.29 11.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.075 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.864 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.95 159.65 97.69 Favored 'Cis proline' 0 C--N 1.359 1.083 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.956 0.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.658 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 23.2 m-85 -97.4 133.79 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.877 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 11.6 m-30 -113.19 130.18 56.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.606 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.6 pp20? -97.28 142.53 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 21.8 t-105 -155.53 149.11 18.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.0 148.75 35.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.73 HG13 ' HB2' ' A' ' 19' ' ' ALA . 7.2 tt -118.69 113.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 64' ' ' SER . 86.9 mt -83.51 116.51 22.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.6 p -54.42 -14.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -84.11 -14.62 49.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 33.44 25.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -108.87 -172.42 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.769 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 22' ' ' ALA . 32.7 t -114.6 114.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.766 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 5.1 t80 -40.02 164.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.874 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 27.4 p -114.56 -9.03 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.849 ' CA ' ' HB2' ' A' ' 35' ' ' SER . . . 121.19 178.96 16.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.794 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 72.43 -145.3 37.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.706 ' C ' ' OH ' ' A' ' 68' ' ' TYR . 28.8 m -89.8 106.52 14.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.953 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.09 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.577 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 119.3 -101.92 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.801 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -140.7 -43.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 0.818 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.715 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 5.0 m-20 -61.53 132.48 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.715 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 10.0 mmt-85 -153.25 146.97 25.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.943 ' CG1' HG13 ' A' ' 16' ' ' VAL . 5.1 m -113.83 135.35 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.881 ' O ' ' N ' ' A' ' 87' ' ' ALA . 70.6 t -111.58 137.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.851 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 5.8 p90 -145.81 -153.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.845 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -141.31 -163.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.598 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.26 17.06 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.845 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -104.8 -29.84 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.735 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 110.5 19.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.851 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 55.8 mt-30 -94.28 -176.64 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.241 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.069 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.42 127.0 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.881 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.22 -41.72 66.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.04 -135.17 3.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.839 HG12 ' SG ' ' A' ' 103' ' ' CYS . 47.0 t -150.75 92.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.796 HD13 ' CG2' ' A' ' 79' ' ' VAL . 2.0 pt -87.15 166.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.801 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.13 150.69 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.666 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.7 m170 -75.54 11.88 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -46.88 89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.96 42.4 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.694 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -60.22 -11.18 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 0.72 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.6 t 98.18 47.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.417 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 120.87 -131.63 8.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.21 7.78 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.694 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -70.35 161.35 30.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.741 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.1 m-85 -114.27 167.01 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.0 m -162.86 133.9 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -55.37 125.29 20.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.135 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 99.5 m -55.34 -168.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.378 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.73 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -137.57 -3.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.689 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 83.5 m-85 -137.32 91.5 2.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 9' ' ' ASN . 6.3 m -101.13 106.8 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 6.3 m -83.13 66.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.06 -52.34 0.56 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.438 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -132.22 52.76 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.796 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.87 -176.83 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.73 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -177.21 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.689 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.26 100.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.482 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 28.6 p -64.04 178.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -50.77 -17.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.043 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.0 t -81.09 -30.01 34.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -83.9 -39.45 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.724 HG11 ' HG ' ' A' ' 86' ' ' LEU . 92.0 t -58.74 -49.55 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.518 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 7.6 t -35.91 -52.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.965 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -51.93 31.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.579 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.83 -41.73 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.641 ' HG2' HG21 ' A' ' 78' ' ' VAL . 11.0 mt-30 -57.49 -54.68 44.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -35.57 -39.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.646 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.7 -49.4 21.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.578 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.17 -41.99 54.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -76.38 -66.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -37.19 -56.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.964 ' CD2' HG13 ' A' ' 33' ' ' VAL . 11.5 tp -62.59 -36.98 84.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 25.9 t60 -64.17 -45.33 88.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.523 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.65 -24.29 66.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 10.8 m-20 -83.91 -22.83 31.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.85 22.32 69.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.947 ' C ' HD11 ' A' ' 26' ' ' LEU . 5.2 mm-40 -101.2 175.16 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.523 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.7 p -126.59 -177.87 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.964 HG13 ' CD2' ' A' ' 26' ' ' LEU . 13.8 m -136.4 127.93 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.598 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 76.18 -144.45 30.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -97.03 -14.69 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.606 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -75.39 -165.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -125.4 43.24 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.056 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -97.84 147.34 32.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.63 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -169.91 7.79 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.987 -0.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.647 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.4 p80 177.94 162.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.622 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -47.44 163.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.861 ' CE2' HD12 ' A' ' 90' ' ' ILE . 2.3 t80 -154.84 -40.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.821 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 1.8 m-80 61.19 -95.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.821 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.0 p-10 153.82 171.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.788 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.94 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.722 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.13 -19.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.76 52.95 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.6 m-85 -95.58 133.87 39.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.89 57.22 2.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.833 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -60.6 93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -71.62 24.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.907 HG23 ' CE1' ' A' ' 56' ' ' TYR . 22.3 m -114.75 160.95 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.694 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -89.31 139.32 30.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.822 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.6 p -68.93 169.62 10.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.822 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.98 159.53 97.88 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.037 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.907 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.3 m-85 -99.8 121.63 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.892 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.0 m-30 -100.54 130.98 46.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.729 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.6 pt-20 -99.76 132.32 45.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.004 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 39.1 t-105 -145.4 145.93 28.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.004 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.94 149.49 37.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.411 1.742 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.75 ' HB ' HG12 ' A' ' 78' ' ' VAL . 6.6 tt -117.77 118.8 59.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' A' ' 68' ' ' TYR . 88.6 mt -87.65 119.34 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -59.55 -9.83 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.21 -19.38 28.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.04 35.35 9.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.89 -172.57 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 22' ' ' ALA . 26.7 t -109.8 111.01 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.895 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 16.1 t80 -40.16 146.26 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.542 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 57.0 p -157.84 66.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.626 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -166.18 -143.54 3.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.687 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.7 -33.51 0.65 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 74' ' ' GLY . 13.0 p -116.22 82.93 12.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.039 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.645 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 43.66 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 72.28 -102.04 1.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.098 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.579 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -150.18 -36.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.646 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 4.4 m-20 -60.64 129.64 42.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.646 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 6.2 mmt-85 -147.96 143.31 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.017 HG23 HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -109.67 141.13 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.7 t -118.37 134.66 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.385 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.892 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -147.07 -161.09 1.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.871 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.81 -162.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.499 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.6 17.5 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.1 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.91 -30.77 10.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.734 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 109.85 20.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.1 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.3 mt-30 -92.48 -171.8 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.017 HD23 HG23 ' A' ' 78' ' ' VAL . 2.0 tm? -133.42 125.88 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.25 -31.84 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.769 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 157.52 -149.44 20.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.77 HG12 ' SG ' ' A' ' 103' ' ' CYS . 8.8 t -139.92 95.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.868 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -93.5 161.33 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.762 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -146.35 142.41 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.632 ' HA ' ' O ' ' A' ' 99' ' ' ASN . 7.3 m170 -60.81 17.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.762 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.2 m -85.54 172.62 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.45 63.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 99' ' ' ASN . . . -137.59 67.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.7 t -56.36 -13.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . -113.41 -87.15 1.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 1.299 ' O ' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -91.27 81.05 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.732 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -26.34 52.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 1.299 ' N ' ' O ' ' A' ' 98' ' ' ASN . 16.8 m-85 -153.96 144.58 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.017 HG13 ' O ' ' A' ' 100' ' ' PHE . 3.7 m -169.82 130.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -47.03 112.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.5 m -53.99 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 5' ' ' THR . 67.0 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.404 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.988 ' N ' ' HG ' ' A' ' 12' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.89 -34.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.105 ' CE2' HG21 ' A' ' 16' ' ' VAL . 73.4 m-85 -121.23 127.33 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.837 HG23 ' O ' ' A' ' 9' ' ' ASN . 1.9 m -120.07 110.79 17.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.722 ' H ' ' HB2' ' A' ' 9' ' ' ASN . 21.1 m -85.79 62.86 7.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.2 -54.84 1.48 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 79.8 p -127.89 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.837 ' O ' HG23 ' A' ' 5' ' ' THR . 0.3 OUTLIER -144.96 -177.45 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -179.09 77.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 108.271 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CZ ' ' CB ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -94.25 126.73 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.988 ' HG ' ' N ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -73.79 158.73 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.0 p -43.27 -22.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.49 ' N ' ' C ' ' A' ' 12' ' ' SER . 32.4 t -80.17 -22.38 42.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.723 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -81.92 -22.95 36.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.105 HG21 ' CE2' ' A' ' 4' ' ' TYR . 19.2 t -75.04 -71.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.48 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -39.81 -55.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -46.64 11.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.616 ' CB ' HG21 ' A' ' 78' ' ' VAL . . . -61.94 -44.12 97.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.747 ' OE1' HG12 ' A' ' 16' ' ' VAL . 9.8 mt-30 -59.85 -58.14 9.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.35 -38.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.049 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.97 -50.82 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.649 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -54.2 -42.2 72.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.405 1.066 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -77.77 -63.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 111.041 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.8 tptp -34.71 -62.31 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.875 HD23 ' CD ' ' A' ' 39' ' ' PRO . 5.1 tp -58.65 -39.03 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.827 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 47.3 t60 -61.87 -48.46 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -61.26 -26.35 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.21 -19.06 27.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.24 23.63 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 22.6 mm-40 -99.52 171.53 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 0.806 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.726 ' CA ' HD21 ' A' ' 26' ' ' LEU . 71.3 p -124.11 -179.06 4.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.847 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.8 m -141.72 128.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.497 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 82.64 -147.93 25.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -96.61 -14.72 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.475 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -80.76 -164.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -123.78 44.19 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.2 m-30 -94.63 147.4 33.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.875 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -170.93 8.73 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.929 0.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 28.9 p80 179.23 169.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.662 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -52.14 159.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.789 ' HE2' HD12 ' A' ' 90' ' ' ILE . 1.4 t80 -154.29 -38.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.827 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 58.27 -95.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.8 p-10 153.33 168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -177.06 -49.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.87 -19.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.08 54.25 0.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.894 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.6 m-85 -95.29 134.31 38.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 12.3 m-30 -64.0 93.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -73.01 24.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.786 HG23 ' CE1' ' A' ' 56' ' ' TYR . 18.4 m -116.16 160.9 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.667 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 t -89.24 138.91 31.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.857 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.53 171.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.857 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.04 159.17 98.36 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.987 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.786 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.4 m-85 -99.93 117.17 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.1 m-30 -98.98 135.07 40.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.603 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.3 pp20? -99.22 144.84 27.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.986 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 35.7 t-105 -160.97 147.03 11.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.986 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.09 156.22 42.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.428 1.752 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.707 HD12 HG11 ' A' ' 78' ' ' VAL . 18.7 tt -119.67 126.26 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 68' ' ' TYR . 65.6 mt -90.31 123.51 34.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -60.44 -7.95 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -96.63 -7.42 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.48 ' C ' HD12 ' A' ' 62' ' ' LEU . 2.6 m-20 -113.84 -164.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.049 HG22 ' HB2' ' A' ' 22' ' ' ALA . 24.0 t -110.61 123.69 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.029 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -73.69 139.54 45.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.0 p -111.36 -81.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.402 1.064 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . . . -33.26 150.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.497 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.12 -15.23 60.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -109.8 95.28 19.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.597 0.822 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 1.071 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -86.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 76' ' ' ASP . . . 173.5 60.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.56 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . 56.66 -51.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.836 ' N ' ' O ' ' A' ' 74' ' ' GLY . 5.2 m-20 -56.15 126.4 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 1.071 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -148.78 139.78 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.93 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -107.91 134.18 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -108.2 140.61 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.997 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 8.6 p90 -151.09 -164.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.887 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -134.31 -168.4 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.3 tt0 -89.56 18.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.107 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.42 -26.04 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.26 20.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.107 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.9 mt-30 -99.95 -178.08 3.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.044 HD13 HG13 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -131.31 131.11 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.868 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.03 -34.46 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.441 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 160.82 -152.48 23.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.15 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.953 HG12 ' SG ' ' A' ' 103' ' ' CYS . 50.1 t -132.52 92.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.894 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -84.48 163.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.793 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -154.95 141.66 18.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 99' ' ' ASN . 10.0 m170 -58.26 27.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.793 ' H ' ' C ' ' A' ' 91' ' ' THR . 2.9 m -92.29 168.94 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.52 63.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.786 ' HB3' ' HA ' ' A' ' 99' ' ' ASN . . . -135.08 68.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -56.88 -12.9 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.058 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -114.8 -85.43 1.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 1.284 ' O ' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -91.55 81.06 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.786 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -26.68 52.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 109.324 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 1.284 ' N ' ' O ' ' A' ' 98' ' ' ASN . 15.9 m-85 -153.02 142.64 21.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 100' ' ' PHE . 3.6 m -168.53 130.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -47.88 112.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.953 ' SG ' HG12 ' A' ' 89' ' ' VAL . 62.8 m -53.37 -170.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.53 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -38.03 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.244 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.0 m-85 -137.96 114.25 10.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.689 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -123.82 107.2 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.0 m -82.42 64.96 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.15 -53.28 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 111.084 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -149.19 48.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.765 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.54 -168.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 43.6 t -172.05 74.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 108.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.874 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.0 m-85 -87.08 47.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -26.65 151.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 53.7 p -38.87 -23.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.058 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -81.93 -25.57 34.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.085 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.874 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.95 -22.3 29.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.244 HG21 ' CE2' ' A' ' 4' ' ' TYR . 39.5 t -75.07 -71.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.8 t -37.2 -50.74 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -47.72 -51.11 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -63.02 -42.41 99.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.184 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.869 ' OE1' HG12 ' A' ' 16' ' ' VAL . 4.9 mt-30 -58.96 -58.43 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.04 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.052 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -80.0 -50.14 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.68 -43.16 99.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -72.69 -62.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 0.82 . . . . 0.0 111.038 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 18.9 tptm -36.58 -61.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.894 HD22 ' CG1' ' A' ' 33' ' ' VAL . 2.6 tp -58.28 -37.34 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 60.5 t60 -64.23 -49.16 73.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.587 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.51 -25.74 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.57 -18.27 26.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.32 23.71 67.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HB2' HD12 ' A' ' 26' ' ' LEU . 15.0 mm-40 -99.02 173.76 6.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.808 ' HA ' HD21 ' A' ' 26' ' ' LEU . 82.6 p -124.31 -179.6 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.894 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.4 m -141.78 131.0 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.54 -154.51 38.34 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t -96.21 17.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.7 m-20 -113.71 -166.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.9 p -120.76 41.71 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.943 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.3 m-30 -93.97 147.78 34.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.078 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.86 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.05 -169.34 7.27 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.961 0.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.572 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 176.65 167.64 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.543 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -49.08 163.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.776 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 12.2 t80 -152.02 12.36 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.693 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -8.92 84.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.758 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -50.73 168.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.758 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.18 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 111.061 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.51 -20.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.504 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.39 55.46 0.36 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.802 ' CE1' HG22 ' A' ' 90' ' ' ILE . 83.2 m-85 -99.55 130.22 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.33 59.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 21.8 m-30 -58.78 113.23 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -61.42 0.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 1.082 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.71 HG22 ' CB ' ' A' ' 87' ' ' ALA . 15.6 m -111.47 151.19 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.07 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 36.1 t -86.97 172.25 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.766 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 17.4 p -79.82 164.08 55.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.773 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.05 172.97 60.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.932 0.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.8 m-30 -116.75 126.84 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.999 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.6 m-30 -112.72 118.25 34.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -78.63 137.73 37.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.893 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 51.0 t-105 -158.2 144.17 12.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.976 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 146.67 33.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.832 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 12.5 tt -112.84 120.86 63.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.811 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 41.7 mt -84.63 124.06 31.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 0.62 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -104.13 -7.14 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.62 38.91 42.36 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.524 1.14 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.617 ' HB2' HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -114.39 -161.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.257 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.052 HG22 ' HB2' ' A' ' 22' ' ' ALA . 13.1 t -117.21 120.5 65.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.976 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -71.01 108.36 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.524 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 3.7 p -108.22 37.11 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.58 156.27 26.17 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.489 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -77.37 -16.06 80.83 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -114.99 81.85 8.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.874 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -45.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 144.24 -118.59 1.18 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.694 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -117.67 -45.9 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.605 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 m-20 -60.87 126.61 28.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.74 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.94 144.99 29.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.863 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -109.8 157.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.33 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 73.0 t -137.9 89.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.999 ' O ' ' N ' ' A' ' 57' ' ' TYR . 15.8 p90 -100.2 -160.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.07 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -134.7 -165.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.685 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 11.3 tt0 -90.84 13.91 15.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.112 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -104.9 -22.45 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.87 20.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.112 HE21 ' ND2' ' A' ' 83' ' ' ASN . 28.3 mt-30 -105.89 115.69 30.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.049 HD13 HG13 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -99.01 146.25 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.01 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -154.5 -34.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 1.33 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -60.48 51.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.137 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -78.88 34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.914 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.83 175.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.731 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.95 154.12 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.0 m170 -85.31 4.13 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.662 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.41 -20.86 31.17 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.831 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -123.69 36.07 3.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.849 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -131.15 -44.36 1.03 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 0.793 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t 76.29 55.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.428 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 147.6 -134.77 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.534 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.3 OUTLIER -93.51 -9.81 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.849 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -65.81 159.06 26.15 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.914 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.0 m-85 -122.3 164.02 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.831 HG21 ' O ' ' A' ' 94' ' ' GLY . 34.5 m -162.3 125.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 103' ' ' CYS . 2.0 pt-20 -52.6 123.14 10.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 98.9 m -50.72 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 108.258 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.542 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.17 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.262 ' CE2' HG21 ' A' ' 16' ' ' VAL . 97.0 m-85 -138.44 110.9 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.895 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.45 105.94 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.111 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.4 m -80.92 61.74 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.67 -46.18 3.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.7 p -155.19 47.03 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 0.0 110.047 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.741 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -124.78 -167.83 1.73 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 45.6 t -171.96 75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.849 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.9 m-85 -88.85 49.51 1.8 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.807 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -28.39 152.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.5 p -38.91 -22.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' SER . 22.2 t -82.45 -25.6 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.849 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.29 -20.82 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.262 HG21 ' CE2' ' A' ' 4' ' ' TYR . 36.2 t -74.89 -70.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.6 t -36.6 -44.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.069 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -54.34 30.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.83 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.5 -43.24 97.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.895 ' OE1' HG12 ' A' ' 16' ' ' VAL . 5.1 mt-30 -58.53 -58.02 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -31.93 -37.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.057 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -79.78 -53.83 6.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -57.57 -43.96 94.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.663 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 3.0 t80 -68.78 -65.62 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 0.786 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.9 tptm -45.27 -53.73 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.955 HD21 HG13 ' A' ' 33' ' ' VAL . 56.7 tp -61.56 -33.46 73.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.888 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 59.6 t60 -67.7 -49.71 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.551 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.609 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.37 -23.5 64.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-20 -84.65 -22.09 30.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.43 77.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.674 ' HB2' HD12 ' A' ' 26' ' ' LEU . 39.3 mm-40 -97.89 175.07 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 42.3 p -129.31 178.05 6.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.955 HG13 HD21 ' A' ' 26' ' ' LEU . 4.2 m -136.38 128.01 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.559 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.65 -152.44 37.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.581 1.175 . . . . 0.0 111.044 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -96.41 18.34 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.546 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -108.07 -167.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.9 p -122.84 38.3 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.4 m-85 -94.7 144.57 28.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.814 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 -174.44 14.14 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.917 -2.535 . . . . 0.0 111.02 -0.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.613 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 174.16 165.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.09 165.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.843 ' CD1' HG11 ' A' ' 79' ' ' VAL . 22.4 t80 -149.99 12.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.703 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -6.56 84.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.776 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.6 p-10 -55.61 172.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.776 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.02 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.082 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.09 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.42 57.66 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.568 1.167 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.752 ' CE1' HG22 ' A' ' 90' ' ' ILE . 74.1 m-85 -102.7 130.6 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 59.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -57.73 115.35 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -61.4 1.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.725 HG22 ' CB ' ' A' ' 87' ' ' ALA . 14.0 m -114.29 149.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.006 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 8.4 t -88.36 168.6 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.823 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 76.1 p -72.33 163.37 67.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.823 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.94 173.0 60.1 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.042 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.633 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -118.47 124.84 48.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.985 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.9 m-30 -111.52 116.14 30.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.621 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 4.7 pt-20 -79.08 140.1 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.006 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 50.7 t-105 -161.5 146.61 10.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.187 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.027 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 143.57 28.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.835 ' HB ' HG12 ' A' ' 78' ' ' VAL . 12.7 tt -110.44 122.36 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.797 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 28.5 mt -88.35 120.9 30.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -63.21 -4.62 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -98.94 -5.73 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.02 37.66 56.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.656 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -111.95 -162.54 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.057 HG22 ' HB2' ' A' ' 22' ' ' ALA . 19.4 t -119.12 120.74 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.027 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 1.4 m-85 -71.32 103.15 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.585 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 92.1 p -101.62 37.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.08 161.24 28.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.559 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -82.03 -11.97 81.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.4 t -115.46 76.57 5.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.875 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.95 -39.93 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.688 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 144.51 -110.69 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.625 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -129.52 -41.46 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.589 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.08 129.84 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.817 ' O ' ' O ' ' A' ' 88' ' ' GLY . 21.5 mmt-85 -147.26 144.76 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.861 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 1.3 m -106.98 158.14 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.354 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 75.5 t -139.52 79.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.985 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -90.89 -163.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.006 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -131.51 -166.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.672 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -90.55 16.64 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.805 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -107.06 -24.34 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.728 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 108.43 20.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.733 HE21 ' ND2' ' A' ' 83' ' ' ASN . 46.7 mt-30 -107.19 119.01 38.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.063 HD21 HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -99.12 144.75 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.909 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -151.89 -35.85 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 1.354 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -62.16 52.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.12 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.9 t -80.94 33.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 0.79 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.91 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -65.21 175.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.727 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.79 152.9 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.0 m170 -75.19 10.45 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.26 89.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.21 42.84 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.703 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -61.33 -7.56 3.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.2 t 99.66 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.97 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.424 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 119.83 -131.29 8.85 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -95.9 9.09 41.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.703 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -69.45 165.79 20.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.91 ' CD1' HG13 ' A' ' 90' ' ' ILE . 16.7 m-85 -118.92 165.23 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.714 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.9 m -162.56 126.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.708 ' C ' ' H ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -49.89 131.91 22.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.12 ' HB2' ' CG1' ' A' ' 89' ' ' VAL . 56.9 m -60.1 5.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.856 HG23 ' C ' ' A' ' 103' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.6 m-20 -37.47 -30.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.244 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.2 m-85 -138.31 114.53 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.726 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -124.73 107.22 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -82.33 64.65 7.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 108.306 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.8 -55.04 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.3 p -146.28 48.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -125.05 -169.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.0 t -172.17 74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.249 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.852 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.4 m-85 -87.39 47.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -27.26 152.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.6 p -39.39 -22.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.1 t -83.13 -24.76 32.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.852 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.96 -21.84 27.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.244 HG21 ' CE2' ' A' ' 4' ' ' TYR . 42.8 t -74.61 -71.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 21.0 t -36.87 -46.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.55 -53.17 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.34 -42.96 99.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.914 ' OE1' HG12 ' A' ' 16' ' ' VAL . 5.1 mt-30 -59.35 -58.9 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -32.96 -36.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.015 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.03 -55.1 6.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -59.49 -42.78 97.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.15 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.649 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.3 t80 -67.04 -61.24 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -41.48 -61.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.019 HD22 HG13 ' A' ' 33' ' ' VAL . 3.1 tp -57.27 -33.13 67.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 57.7 t60 -67.84 -51.78 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.541 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.624 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.4 -25.12 61.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 -18.47 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.73 24.25 70.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 26' ' ' LEU . 65.3 mm-40 -97.87 177.5 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.353 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.915 ' HA ' HD21 ' A' ' 26' ' ' LEU . 63.8 p -127.25 176.83 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.364 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.019 HG13 HD22 ' A' ' 26' ' ' LEU . 2.9 m -138.11 132.65 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.517 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.94 -148.88 30.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.448 1.093 . . . . 0.0 111.054 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.11 -8.58 29.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -87.77 -164.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -123.44 45.29 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.8 m-85 -94.09 147.85 34.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.916 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 -169.98 7.85 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.042 -2.483 . . . . 0.0 110.931 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.641 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 24.5 p80 -179.53 168.37 1.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 19.7 ttpt -54.17 158.82 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.721 ' CD1' HG11 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -155.2 -38.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 110.979 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.85 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 3.5 m-80 57.85 -97.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.85 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.4 p-10 150.63 170.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -175.97 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 29.5 mt-10 -45.92 -16.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 108.26 54.48 0.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.57 1.169 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.877 ' CE1' HG22 ' A' ' 90' ' ' ILE . 93.4 m-85 -94.2 131.92 39.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.95 56.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.704 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 17.3 m-30 -55.69 102.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.41 0.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.743 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.9 m -108.59 151.26 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.127 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.9 m -85.76 170.03 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.777 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 11.3 p -77.0 164.63 57.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.804 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.07 174.19 54.0 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.986 0.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.7 m-30 -118.41 112.48 20.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.029 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -100.74 123.06 44.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.641 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.6 pp20? -83.75 136.45 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.889 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 40.7 t-105 -157.44 145.98 14.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 108.01 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.015 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.9 ' HB ' HG12 ' A' ' 78' ' ' VAL . 9.3 tt -110.43 122.7 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.824 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 30.6 mt -90.1 119.97 30.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -4.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -100.2 -3.63 31.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.86 38.98 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.684 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -111.26 -163.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.015 HG22 ' HB2' ' A' ' 22' ' ' ALA . 17.0 t -118.45 119.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.015 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -72.34 128.93 37.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.551 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 p -155.39 65.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.4 -7.52 0.15 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.517 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 84.43 -27.07 4.8 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.67 82.25 6.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.987 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.975 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.542 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 143.67 -120.69 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.648 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -114.26 -44.91 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.612 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.5 m-20 -61.92 128.88 38.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.905 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.98 150.95 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.9 HG12 ' HB ' ' A' ' 61' ' ' ILE . 2.0 m -113.2 157.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.231 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 80.5 t -140.01 83.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 1.029 ' O ' ' N ' ' A' ' 57' ' ' TYR . 11.5 p90 -94.23 -166.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.127 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -129.68 -166.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.66 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.3 tt0 -89.22 18.67 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.785 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -109.85 -25.48 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.733 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 109.32 20.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.727 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 49.6 mt-30 -104.66 118.51 36.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.13 ' CD1' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -100.7 133.17 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.89 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -143.53 -16.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 1.231 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -74.37 45.69 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.179 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.6 t -76.05 33.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.893 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -67.16 174.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.669 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.54 154.6 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.648 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 11.6 m170 -75.6 10.82 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.41 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.85 42.37 0.05 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.743 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -62.13 -6.51 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.4 t 99.63 47.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.046 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.416 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 119.58 -131.46 8.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.502 ' ND2' ' CE1' ' A' ' 92' ' ' HIS . 2.8 t-20 -96.61 10.73 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.743 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -70.54 168.08 17.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.893 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.7 m-85 -120.49 164.93 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.698 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.0 m -162.25 124.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.495 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 2.2 pt-20 -52.12 122.52 8.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -49.93 179.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.529 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.2 m-20 -38.36 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.276 ' CE2' HG21 ' A' ' 16' ' ' VAL . 92.2 m-85 -139.56 113.28 8.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.127 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.55 105.58 10.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.075 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.7 m -79.2 62.58 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 108.264 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.22 -49.04 4.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -151.98 49.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.74 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -126.53 -167.5 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 40.1 t -172.91 75.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.819 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.1 m-85 -88.06 50.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -27.9 151.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 55.1 p -38.86 -22.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' SER . 32.0 t -82.62 -25.3 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.819 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -86.3 -18.54 31.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.276 HG21 ' CE2' ' A' ' 4' ' ' TYR . 55.4 t -80.72 -70.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.4 t -37.87 -45.9 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -55.22 18.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.433 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.516 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.86 -44.0 94.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 1.064 ' OE1' ' HB3' ' A' ' 80' ' ' PHE . 2.4 mt-30 -58.28 -56.1 26.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -34.28 -30.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.058 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -87.25 -49.32 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.99 -44.97 96.59 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -70.56 -61.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 10.6 tptt -37.96 -60.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.93 HD22 ' CG1' ' A' ' 33' ' ' VAL . 2.2 tp -58.52 -35.89 72.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 67.7 t60 -66.02 -50.62 63.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.98 -26.98 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 110.388 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.48 -16.6 32.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.72 71.9 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 66.3 mm-40 -98.74 173.62 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 0.72 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.882 ' HA ' HD21 ' A' ' 26' ' ' LEU . 20.8 p -127.09 176.76 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.93 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.3 m -129.38 128.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.34 -149.49 32.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -93.98 -16.66 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -77.26 -164.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' PRO . 19.5 p -125.21 47.28 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.7 m-85 -100.46 143.43 26.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.838 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -167.29 5.53 Favored 'Cis proline' 0 C--N 1.358 1.069 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 30.2 p80 176.57 172.45 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.506 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 2.0 tppm? -52.49 161.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.912 ' CD1' HG11 ' A' ' 79' ' ' VAL . 5.7 t80 -152.81 10.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -10.86 87.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.746 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -47.72 169.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.746 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.2 -43.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.59 -20.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.9 55.54 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.757 ' CE1' HG22 ' A' ' 90' ' ' ILE . 79.7 m-85 -101.27 131.71 47.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.27 60.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.648 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 18.3 m-30 -58.9 107.77 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -61.98 3.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 87' ' ' ALA . 10.0 m -110.47 154.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.171 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 35.1 m -86.57 172.85 9.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.848 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -91.83 169.79 10.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.59 1.182 . . . . 0.0 110.039 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.848 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.96 156.51 99.91 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.98 -0.03 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.641 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.2 m-85 -96.54 132.95 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.896 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.1 m-30 -114.55 118.03 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.649 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -81.79 142.67 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.99 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.4 t-105 -162.8 145.82 8.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.99 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.11 141.22 26.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.087 HD12 HG11 ' A' ' 78' ' ' VAL . 9.5 tt -110.55 115.29 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 68' ' ' TYR . 73.1 mt -87.04 122.51 30.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 p -58.72 -13.4 5.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.21 -12.55 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.25 39.32 31.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.0 -173.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.058 HG22 ' HB2' ' A' ' 22' ' ' ALA . 44.4 t -108.38 108.12 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.776 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 20.6 t80 -44.44 167.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.703 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.1 p -98.04 -43.16 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.705 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 131.98 149.9 6.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.595 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 99.47 -105.85 3.1 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.715 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 50.5 p -107.45 91.13 6.63 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.554 0.797 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.776 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 -26.22 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.791 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.57 -107.5 0.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.596 1.185 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -135.78 -45.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -63.91 127.34 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.791 HH12 ' N ' ' A' ' 74' ' ' GLY . 13.4 mmt-85 -143.66 145.48 32.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.087 HG11 HD12 ' A' ' 61' ' ' ILE . 28.7 m -113.8 147.32 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.408 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.4 t -131.91 91.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 1.064 ' HB3' ' OE1' ' A' ' 20' ' ' GLN . 14.6 p90 -99.64 -158.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.171 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -136.0 -161.87 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -92.89 11.86 25.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.328 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.088 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.73 -23.45 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 104.77 20.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.088 HE21 ' ND2' ' A' ' 83' ' ' ASN . 26.1 mt-30 -105.85 124.54 49.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.093 HD13 HG13 ' A' ' 16' ' ' VAL . 1.1 tt -92.57 153.21 19.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.707 ' CB ' HG22 ' A' ' 52' ' ' VAL . . . -160.58 -37.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 1.408 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -70.65 49.72 0.82 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.2 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -80.25 31.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.931 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -63.04 178.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.681 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -163.38 152.79 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.673 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . 11.2 m170 -75.49 5.01 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -43.09 87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.39 39.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.936 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -70.24 79.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.433 ' CB ' HD22 ' A' ' 99' ' ' ASN . 1.7 t 44.95 18.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . 126.26 -112.44 1.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.591 ' ND2' ' CE1' ' A' ' 92' ' ' HIS . 2.7 t-20 -96.9 1.8 50.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.936 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -61.94 164.7 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.931 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.1 m-85 -112.55 156.55 22.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 34.4 m -159.59 126.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.49 ' C ' ' N ' ' A' ' 104' ' ' THR . 0.1 OUTLIER -46.37 125.37 6.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.127 ' O ' ' O ' ' A' ' 5' ' ' THR . 52.6 m -55.49 -10.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.929 ' OG1' ' O ' ' A' ' 103' ' ' CYS . 18.3 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.517 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -39.97 -28.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.19 ' CE2' HG21 ' A' ' 16' ' ' VAL . 90.7 m-85 -139.48 112.27 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.714 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.2 m -123.76 105.84 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.4 m -81.03 65.34 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.11 -56.21 4.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.7 p -146.46 48.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 0.794 . . . . 0.0 110.069 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.45 -168.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 44.9 t -172.22 75.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 108.291 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.87 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-85 -88.32 48.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 15' ' ' ASP . 82.8 p -28.12 152.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.009 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.7 p -39.34 -22.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.9 t -82.68 -24.85 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.87 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.51 -22.88 30.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.19 HG21 ' CE2' ' A' ' 4' ' ' TYR . 50.0 t -75.58 -71.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.1 t -36.06 -45.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -53.27 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.761 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.67 -42.64 99.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.801 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.2 mt-30 -56.42 -58.13 9.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.25 -35.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -83.57 -44.23 14.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.656 ' O ' ' HG3' ' A' ' 39' ' ' PRO . . . -61.89 -44.39 97.91 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -73.51 -62.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.804 . . . . 0.0 111.027 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.2 tptp -37.97 -60.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.033 HD23 ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -59.73 -35.03 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.855 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.4 t60 -65.85 -50.88 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.86 -26.71 59.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.37 -18.5 29.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.81 24.04 75.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.626 ' HB2' HD12 ' A' ' 26' ' ' LEU . 7.4 mm-40 -102.04 175.45 5.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.653 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 50.6 p -123.82 -168.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.019 HG11 ' HH2' ' A' ' 59' ' ' TRP . 18.8 m -132.59 134.01 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.719 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.38 76.08 0.0 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.825 ' N ' ' O ' ' A' ' 33' ' ' VAL . 24.1 p 174.5 -113.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.714 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.1 m-20 -94.06 -164.8 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.543 ' HA ' HG21 ' A' ' 32' ' ' THR . 9.3 p -87.54 33.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.714 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.1 m-30 -79.69 145.81 63.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 1.033 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.94 -175.71 16.55 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.981 -0.078 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.5 p80 177.28 170.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.647 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.5 ttpt -46.53 165.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.426 1.079 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.7 ' O ' ' C ' ' A' ' 43' ' ' ASN . 29.4 t80 -150.31 11.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.7 ' C ' ' O ' ' A' ' 42' ' ' TYR . 5.9 m-80 -6.72 80.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.684 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -51.76 160.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.684 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -162.38 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.678 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 12.2 mt-10 -40.15 -22.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.4 57.26 0.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.065 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.881 ' CE1' HG22 ' A' ' 90' ' ' ILE . 93.6 m-85 -100.34 135.91 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.8 58.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.3 m-30 -56.63 117.08 3.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -63.01 -0.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.639 HG22 ' CB ' ' A' ' 87' ' ' ALA . 15.8 m -110.45 150.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.007 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 33.7 t -88.3 168.38 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.055 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.796 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -75.98 166.87 41.65 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.796 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.07 160.09 96.99 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 0.097 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.772 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 17.0 m-30 -105.54 123.85 48.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.928 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.9 m-30 -107.39 120.44 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.673 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.4 pp20? -78.16 137.92 38.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.019 ' HH2' HG11 ' A' ' 33' ' ' VAL . 62.8 t-105 -165.19 140.01 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 107.976 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.11 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 155.7 42.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.931 HD12 HG11 ' A' ' 78' ' ' VAL . 14.5 tt -121.18 122.92 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' A' ' 66' ' ' ASP . 17.6 mt -92.18 122.58 34.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -66.83 -4.94 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.94 -13.75 28.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 37.3 13.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.824 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -108.83 -169.3 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 6.7 t -119.49 106.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.11 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 17.9 t80 -42.7 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 p -96.24 -52.64 3.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -71.05 -148.69 0.54 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.742 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -135.74 34.62 2.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.525 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 5.6 p -133.84 58.55 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.427 0.722 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.665 ' CB ' ' CB ' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.03 43.15 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 57.29 -93.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -154.26 -29.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.486 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -64.97 131.3 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 17.0 mmt-85 -143.53 141.49 30.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.056 ' CB ' HD11 ' A' ' 86' ' ' LEU . 5.5 m -113.53 150.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.39 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.292 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 92.5 t -130.97 116.75 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.7 p90 -122.28 -155.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.007 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -139.38 -165.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.676 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.7 tt0 -90.31 6.59 42.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.093 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -97.5 -24.08 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.724 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.01 20.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.093 HE21 ' ND2' ' A' ' 83' ' ' ASN . 30.3 mt-30 -105.04 112.52 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.056 HD11 ' CB ' ' A' ' 78' ' ' VAL . 2.0 tt -98.5 149.88 22.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.041 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -157.38 -40.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 1.292 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.35 55.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.178 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -82.14 35.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.887 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -66.99 176.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.653 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -165.32 152.57 10.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.818 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 12.5 m-70 -74.89 11.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.93 88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.439 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.33 42.61 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.667 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -60.63 -9.19 3.53 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.4 t 99.62 47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.0 -131.16 8.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 3.9 t-20 -95.9 5.89 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.667 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -68.22 162.76 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.887 ' CD1' HG13 ' A' ' 90' ' ' ILE . 19.0 m-85 -116.63 166.93 11.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.727 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.1 m -161.86 125.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -54.57 123.36 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 95.4 m -50.0 177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.451 ' C ' ' H ' ' A' ' 5' ' ' THR . 70.8 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.489 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -128.08 -7.23 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.763 ' CB ' HG21 ' A' ' 89' ' ' VAL . 78.0 m-85 -134.57 87.52 2.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' ASN . 19.6 m -97.22 103.93 15.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 14.1 m -81.45 64.67 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.86 -54.79 0.99 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.42 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 10.2 p -131.69 54.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.035 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.728 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.1 m-80 -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.489 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.38 60.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 108.253 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.687 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.78 96.82 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 15.2 p -62.09 177.97 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -17.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -81.98 -29.95 31.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.685 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.2 -40.14 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.004 HG11 HD12 ' A' ' 86' ' ' LEU . 91.1 t -58.23 -46.34 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.539 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 35.8 t -36.21 -50.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.01 -51.98 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.47 -42.13 91.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.539 ' OE1' ' HA ' ' A' ' 17' ' ' SER . 9.5 mt-30 -59.92 -55.14 37.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.02 -40.66 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -61.42 -62.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.77 -41.57 96.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.434 1.084 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 1.156 ' CE1' ' HA ' ' A' ' 83' ' ' ASN . 1.6 m-85 -54.73 -60.73 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -43.07 -50.22 6.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.049 HD22 HG13 ' A' ' 33' ' ' VAL . 10.5 tp -65.28 -34.16 77.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.783 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 54.9 t60 -65.93 -50.8 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.57 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.22 -25.1 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -92.8 -21.85 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.19 30.14 57.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.546 ' HB2' HD12 ' A' ' 26' ' ' LEU . 59.1 mm-40 -109.13 -178.7 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.93 ' HA ' HD21 ' A' ' 26' ' ' LEU . 27.8 p -120.9 -178.04 3.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.049 HG13 HD22 ' A' ' 26' ' ' LEU . 27.6 m -123.15 118.44 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 33' ' ' VAL . . . -2.95 62.25 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 33' ' ' VAL . 79.2 p 176.35 -148.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.726 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.5 m-20 -52.16 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 39' ' ' PRO . 66.5 p -91.75 35.08 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.726 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -80.66 143.33 54.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 1.004 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 -179.83 28.07 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.985 0.004 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.586 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.7 p80 -170.11 169.01 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.498 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 23.6 ttpt -51.43 166.31 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.739 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -159.27 -24.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.871 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 11.7 m-80 49.5 -104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.871 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.6 p-10 152.16 178.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 167.78 -45.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.936 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.62 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.1 -18.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 110.74 54.58 0.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.831 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.4 m-85 -97.33 134.49 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 0.746 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 67.05 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.828 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 15.7 m-30 -70.71 105.52 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.0 p -73.72 24.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.074 HG21 ' O ' ' A' ' 85' ' ' GLN . 30.5 m -129.92 161.22 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.681 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.6 m -93.33 154.46 17.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.826 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -69.72 171.4 7.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.826 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.0 Cg_endo -75.07 151.35 96.71 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.951 0.081 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.584 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 17.3 m-85 -90.53 112.67 24.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.847 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 13.5 m-30 -95.3 136.0 36.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.64 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -98.29 147.07 25.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.977 ' HH2' HG11 ' A' ' 33' ' ' VAL . 52.2 t-105 -164.32 146.41 7.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.936 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.04 153.05 41.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.538 1.809 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.613 ' CD1' HG22 ' A' ' 16' ' ' VAL . 13.4 tt -121.3 115.96 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.896 HD13 ' HB2' ' A' ' 66' ' ' ASP . 13.5 mt -88.1 119.07 28.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -3.99 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.51 -14.38 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.0 11.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.896 ' HB2' HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -107.02 -169.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 3.5 t -126.33 103.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.936 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 25.5 t80 -45.3 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 26.2 p -89.16 -38.19 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.665 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -84.72 -150.81 12.49 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.725 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -124.76 25.41 5.88 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -125.83 66.73 58.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.707 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.7 Cg_endo -74.9 -92.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 158.09 169.11 21.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.65 -45.92 7.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.577 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 18.1 m-20 -60.25 127.96 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.707 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -147.24 150.78 35.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.746 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -117.77 141.36 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.117 ' O ' ' N ' ' A' ' 87' ' ' ALA . 69.3 t -125.45 129.84 72.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 1.027 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 3.8 p90 -132.57 -160.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.363 HD21 ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -149.32 -121.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 1.178 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 51.1 tt0 -33.18 -95.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.156 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -158.71 85.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.8 ' N ' ' CZ ' ' A' ' 24' ' ' TYR . 1.9 p30 111.91 17.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.363 ' CG ' HD21 ' A' ' 81' ' ' ASN . 6.6 mm-40 -109.67 47.88 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.218 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.099 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.9 134.49 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.37 -44.87 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.98 -133.0 2.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.98 HG12 ' SG ' ' A' ' 103' ' ' CYS . 78.5 t -150.74 89.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.831 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -83.8 164.76 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.708 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.39 153.14 17.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.619 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.5 m170 -77.11 20.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.54 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.504 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -74.07 120.84 20.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 31.45 42.65 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.103 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.494 ' C ' ' ND2' ' A' ' 99' ' ' ASN . . . -74.64 -20.88 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.519 ' C ' HD21 ' A' ' 99' ' ' ASN . 3.9 t 83.56 45.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.61 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 128.06 -134.66 8.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -95.87 4.63 52.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.727 ' ND2' ' H ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.11 -177.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.699 ' O ' HG13 ' A' ' 101' ' ' VAL . 27.7 m-85 -132.89 167.48 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.2 m -162.19 134.94 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -58.53 125.4 23.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.9 m -55.25 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.625 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -36.95 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.163 ' CE2' HG21 ' A' ' 16' ' ' VAL . 89.7 m-85 -135.25 125.37 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.071 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.716 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.7 m -133.56 104.55 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.8 m -80.17 64.61 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.61 -52.01 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -150.01 48.35 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.744 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -123.61 -168.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.625 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 48.9 t -171.78 75.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.922 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 20.1 m-85 -87.62 43.53 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.831 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -24.63 149.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.006 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' SER . 6.5 p -38.38 -22.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.999 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.5 t -83.22 -23.04 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.922 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -84.71 -32.5 23.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.163 HG21 ' CE2' ' A' ' 4' ' ' TYR . 35.1 t -62.61 -66.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.486 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 33.8 t -42.41 -52.77 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.063 . . . . 0.0 110.009 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -51.57 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.703 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -43.66 96.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.722 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 2.9 mt-30 -57.2 -58.67 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.39 -37.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.103 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.67 -55.25 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.07 -42.99 99.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.677 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.7 t80 -67.3 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 18.4 tptt -40.58 -62.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.979 HD22 HG13 ' A' ' 33' ' ' VAL . 4.0 tp -57.14 -33.21 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.857 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.2 t60 -67.92 -52.51 35.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.636 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.604 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.21 -27.21 44.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.75 -16.85 31.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.94 23.78 75.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.9 mm-40 -102.0 179.86 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 0.718 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.939 ' HA ' HD21 ' A' ' 26' ' ' LEU . 23.9 p -126.51 170.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.469 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.979 HG13 HD22 ' A' ' 26' ' ' LEU . 16.9 m -116.01 121.64 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.56 ' HA3' ' HA3' ' A' ' 70' ' ' GLY . . . 80.2 -142.59 24.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -97.72 -20.3 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 0.719 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.612 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.6 m-20 -69.94 -165.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 39' ' ' PRO . 18.8 p -125.48 46.74 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.5 m-85 -102.91 145.78 31.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.914 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 -161.54 2.51 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.044 -0.105 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.764 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.1 p80 175.58 161.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.542 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.5 OUTLIER -41.9 163.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.744 ' CD1' HG11 ' A' ' 79' ' ' VAL . 44.1 t80 -147.17 10.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -7.71 82.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.74 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.6 p-10 -52.96 162.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.74 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -168.63 -38.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -17.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 107.75 51.79 0.73 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 27.2 m-85 -97.19 137.54 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.04 57.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.6 m-30 -53.79 120.34 6.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.2 p -61.52 -1.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.662 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 14.7 m -108.99 150.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.213 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.1 m -85.11 179.36 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.764 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 12.9 p -87.07 164.25 36.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.781 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -75.03 175.2 48.93 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.946 -2.523 . . . . 0.0 111.04 0.021 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.826 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 11.8 m-30 -116.77 125.29 51.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.929 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.7 m-30 -111.09 119.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.764 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -77.16 139.06 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.855 ' CH2' HG11 ' A' ' 33' ' ' VAL . 63.5 t-105 -159.57 139.6 8.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.017 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.0 138.11 22.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.896 HD12 HG11 ' A' ' 78' ' ' VAL . 11.1 tt -107.72 111.3 35.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt -88.52 116.79 27.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.22 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -58.88 -14.72 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.002 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -18.22 56.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.36 38.25 11.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -109.98 -175.67 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.103 HG22 ' HB2' ' A' ' 22' ' ' ALA . 8.9 t -115.25 100.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.085 ' OH ' ' N ' ' A' ' 71' ' ' GLY . 17.6 t80 -36.14 127.96 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 10.5 p -109.94 45.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.731 ' C ' ' CE1' ' A' ' 68' ' ' TYR . . . 76.74 141.27 1.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.573 1.171 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 1.085 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 154.24 -145.31 12.45 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.606 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -130.27 53.0 10.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.865 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.92 45.87 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 111.101 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -58.02 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.697 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . -19.49 -56.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 74' ' ' GLY . 92.3 m-20 -122.9 114.63 20.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -138.7 144.73 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.068 ' CB ' HD21 ' A' ' 86' ' ' LEU . 4.4 m -118.01 150.53 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.272 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.3 t -129.58 118.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.929 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.3 p90 -127.01 -157.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.213 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -139.64 -168.99 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.748 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 1.2 tp10 -89.45 21.55 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.082 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -112.57 -20.23 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.707 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.3 21.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.082 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.8 mt-30 -107.92 105.31 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.108 HD23 HG13 ' A' ' 16' ' ' VAL . 3.1 tp -99.43 141.74 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -146.97 -45.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 1.272 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -44.31 54.68 0.0 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.08 HG11 ' HB3' ' A' ' 4' ' ' TYR . 52.9 t -84.57 40.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 0.776 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.842 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.38 172.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.794 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.84 163.39 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.586 ' HB2' ' HA ' ' A' ' 75' ' ' ALA . 13.1 m170 -84.16 -10.69 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 109.599 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -35.58 97.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' SER . . . 38.39 37.05 0.46 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 1.101 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -67.56 61.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.3 OUTLIER 34.46 30.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 110.056 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.0 -125.23 4.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.634 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -98.75 2.92 47.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.391 0.701 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 1.101 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -62.47 172.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.842 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.2 m-85 -119.31 158.8 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 27.1 m -160.07 123.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.415 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -49.99 123.77 8.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -50.88 173.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 108.344 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.8 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.525 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -37.71 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.213 ' CE2' HG21 ' A' ' 16' ' ' VAL . 91.4 m-85 -137.9 115.41 11.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.694 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.5 m -124.9 107.01 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.8 m -82.14 64.71 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.94 -54.98 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.544 1.152 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.427 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -146.49 48.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.978 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.745 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.4 -169.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t -171.76 73.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.88 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.8 m-85 -86.07 46.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.81 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -27.15 151.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.4 p -38.67 -22.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -83.02 -25.18 32.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.88 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.17 -26.25 28.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.213 HG21 ' CE2' ' A' ' 4' ' ' TYR . 47.6 t -71.46 -70.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.438 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.4 t -38.26 -49.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -51.15 35.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -62.04 -44.59 96.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.775 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.7 mt-30 -56.27 -58.32 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.53 -39.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.958 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.35 -59.54 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -59.87 -39.3 95.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.611 ' OH ' ' C ' ' A' ' 82' ' ' GLU . 1.3 t80 -68.48 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 11.5 tptp -38.41 -59.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 33' ' ' VAL . 1.9 tp -59.87 -34.86 73.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.3 t60 -66.6 -50.7 62.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.22 -26.83 61.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.23 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.01 -17.23 29.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.38 22.82 72.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.1 mm-40 -100.99 179.29 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.99 ' HA ' HD21 ' A' ' 26' ' ' LEU . 82.5 p -125.55 169.5 12.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 26' ' ' LEU . 4.4 m -115.92 128.85 73.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' HA3' ' O ' ' A' ' 69' ' ' SER . . . 72.1 -152.06 48.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -96.41 15.09 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.979 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.6 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.1 m-20 -104.9 -165.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.17 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 39' ' ' PRO . 12.7 p -121.06 43.28 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.966 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.6 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.92 142.96 25.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.887 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.07 -162.89 2.93 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.645 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.2 p80 170.61 163.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.529 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -42.36 163.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.788 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 36.8 t80 -146.11 10.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -4.84 77.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -47.38 160.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -163.78 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 18.0 mt-10 -41.91 -20.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 110.81 56.48 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.875 ' CE1' HG22 ' A' ' 90' ' ' ILE . 86.5 m-85 -98.57 132.84 43.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 57.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -55.84 114.72 2.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -60.73 -0.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.57 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 15.9 m -110.98 151.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.208 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.6 t -88.07 172.17 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.798 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.0 p -79.85 166.34 41.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.798 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.0 162.1 93.54 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.033 0.024 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.595 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 17.1 m-30 -107.93 128.21 54.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -111.81 113.69 26.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.788 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.8 pt-20 -77.27 137.1 38.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 58.5 t-105 -155.55 140.59 12.22 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.046 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.742 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.789 HD12 HG11 ' A' ' 78' ' ' VAL . 8.4 tt -103.72 112.35 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 mt -88.06 117.42 26.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -13.27 10.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -79.82 -17.41 53.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.22 37.76 12.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.99 -175.15 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 ' HB2' ' A' ' 22' ' ' ALA . 16.6 t -115.71 102.02 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.046 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 23.5 t80 -36.72 126.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.544 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 60.3 p -100.72 45.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.696 ' HA2' ' CE2' ' A' ' 68' ' ' TYR . . . 65.52 154.73 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.619 1.2 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 1.04 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 136.78 -140.62 11.61 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 74' ' ' GLY . 1.3 m -124.89 73.65 64.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.408 0.711 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.755 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 41.32 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.783 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -59.25 114.54 6.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.797 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . 149.03 -64.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.51 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 10.2 m-20 -122.83 118.46 28.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.713 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -141.45 142.64 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.002 ' CB ' HD11 ' A' ' 86' ' ' LEU . 9.3 m -114.29 148.0 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.317 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 71.8 t -128.95 110.7 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.3 p90 -120.33 -169.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.208 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -127.95 -171.02 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.703 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 2.9 tt0 -88.7 17.48 5.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.866 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.47 -19.35 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.713 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 102.48 25.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.745 HE21 ' ND2' ' A' ' 83' ' ' ASN . 44.4 mt-30 -113.82 117.16 30.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.037 HD13 HG13 ' A' ' 16' ' ' VAL . 1.5 tt -102.74 146.5 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.952 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -152.18 -38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 1.317 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.27 54.46 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.196 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -83.88 34.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.875 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -64.67 174.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.797 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.9 148.39 10.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.629 ' O ' ' N ' ' A' ' 94' ' ' GLY . 12.9 m-70 -70.55 1.41 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.575 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -29.75 88.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.388 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.54 39.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.751 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -52.56 171.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.814 ' N ' HD21 ' A' ' 99' ' ' ASN . 13.0 t -62.82 8.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 152.3 -121.67 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.4 t-20 -92.85 1.49 57.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.814 HD21 ' N ' ' A' ' 96' ' ' SER . 7.1 p30 -66.31 -165.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.862 ' CD1' HG13 ' A' ' 90' ' ' ILE . 40.4 m-85 -139.79 171.33 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.716 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 27.8 m -160.79 125.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.535 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 1.4 pt-20 -55.08 123.57 14.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 96.3 m -51.09 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 108.242 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.435 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.667 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -41.26 -28.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.056 ' CE2' HG21 ' A' ' 16' ' ' VAL . 69.4 m-85 -139.9 110.38 6.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.566 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.4 m -118.6 103.43 9.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 24.9 m -78.7 67.79 4.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.58 -47.05 3.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -160.99 48.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.831 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.8 -166.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.667 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 47.7 t -171.8 76.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.897 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.5 m-85 -90.98 47.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -25.13 149.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.7 p -38.24 -24.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.2 t -82.07 -24.49 35.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.897 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.36 -28.92 31.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.1 HG12 ' OE1' ' A' ' 20' ' ' GLN . 69.1 t -76.24 -66.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 39.7 t -37.81 -49.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -52.44 53.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.561 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.85 -43.4 98.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 1.1 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.6 mt-30 -59.44 -55.16 38.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.01 -38.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.07 -53.04 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.635 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.46 -39.84 37.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.795 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 5.8 t80 -75.1 -73.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.41 -50.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.944 HD21 HG13 ' A' ' 33' ' ' VAL . 56.6 tp -67.42 -36.88 82.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.837 ' CD2' ' CE2' ' A' ' 57' ' ' TYR . 9.8 t60 -64.55 -45.19 88.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.653 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -25.46 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 55.3 m-20 -80.86 -22.16 40.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.21 78.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 26' ' ' LEU . 4.0 mm-40 -97.12 178.3 5.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 62.5 p -132.09 176.42 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.944 HG13 HD21 ' A' ' 26' ' ' LEU . 3.4 m -134.98 152.98 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.81 -154.94 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -97.75 45.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.638 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -139.74 -166.63 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 39' ' ' PRO . 4.5 p -118.68 38.52 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.638 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -93.27 147.14 33.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.803 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -170.57 8.39 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.033 -0.03 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.628 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 26.5 p80 178.26 170.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 4.3 ttmt -50.47 169.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.709 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 17.7 t80 -153.06 11.92 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -6.42 85.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.772 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p-10 -53.3 167.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -177.0 -43.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.52 -20.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.95 57.28 0.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.745 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 84.1 m-85 -101.17 139.36 36.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.84 75.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.214 -179.884 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 1.139 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 17.8 m-30 -80.71 120.2 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.5 p -81.02 22.32 0.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.984 HG21 ' O ' ' A' ' 85' ' ' GLN . 34.3 m -127.53 156.87 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.716 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -94.75 142.88 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.807 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -52.54 169.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.855 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.7 Cg_endo -74.95 152.43 98.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.065 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' TYR . 23.3 m-85 -92.45 110.87 22.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.007 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -94.96 129.46 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.647 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.0 pp20? -92.95 141.03 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.911 ' O ' ' N ' ' A' ' 78' ' ' VAL . 59.3 t-105 -162.07 138.97 6.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.177 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 154.53 42.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.575 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 18.1 tt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 68' ' ' TYR . 90.9 mt -94.21 120.48 34.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.2 t -59.57 -12.52 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.27 -16.93 41.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.942 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.42 35.71 13.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.28 -171.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 22' ' ' ALA . 5.3 t -109.03 107.33 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.177 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 1.1 t80 -43.39 93.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.492 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 78.3 p -123.46 48.2 1.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.944 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.87 -52.42 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.478 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 102.75 24.99 7.84 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.63 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.45 52.52 2.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.63 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.0 -56.08 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.793 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 27.72 87.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.985 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 147.11 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.782 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.0 m-20 -70.26 134.05 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 1.011 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -155.02 131.01 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -102.12 130.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.107 ' O ' ' N ' ' A' ' 87' ' ' ALA . 81.9 t -110.78 131.65 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.391 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 1.007 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -142.33 -176.08 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.265 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -128.8 -117.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.93 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 1.265 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 47.1 tt0 -29.74 -56.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.795 ' HB3' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -171.81 -89.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.499 ' N ' HD22 ' A' ' 83' ' ' ASN . 7.1 p30 -79.66 18.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.255 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 41.0 mm-40 -90.04 45.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.08 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -37.46 137.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.139 ' HB1' ' CD2' ' A' ' 50' ' ' PHE . . . -87.02 -33.64 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.621 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 169.01 -146.77 10.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.918 HG21 ' CG ' ' A' ' 4' ' ' TYR . 24.6 t -143.32 88.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.807 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.809 HD13 ' CG2' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -82.16 161.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.985 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -157.15 150.89 24.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.9 m170 -74.16 -5.93 44.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -34.16 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.8 42.82 0.05 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.571 1.17 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.635 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -62.98 -10.29 13.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 0.838 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.4 t 97.65 46.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.21 -131.03 8.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.9 t-20 -96.14 5.31 51.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.614 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -67.28 169.96 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.362 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.742 ' O ' HG13 ' A' ' 101' ' ' VAL . 28.6 m-85 -121.76 167.69 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.4 m -162.71 132.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -59.33 123.17 15.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 64.3 m -55.7 -166.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.365 -179.97 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.503 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.13 -27.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.246 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.0 m-85 -139.74 113.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.15 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -123.08 104.93 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.049 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.5 m -79.34 62.99 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.37 -49.61 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.0 p -152.82 48.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.781 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -125.0 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 39.4 t -172.76 76.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.294 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.846 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 16.5 m-85 -90.05 51.92 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.793 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -29.75 152.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -39.11 -22.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.6 t -83.07 -25.25 32.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.846 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -84.36 -22.73 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.246 HG21 ' CE2' ' A' ' 4' ' ' TYR . 41.9 t -76.56 -70.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' VAL . 33.0 t -37.4 -45.91 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.15 -54.3 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.819 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -44.1 96.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.807 ' OE1' HG12 ' A' ' 16' ' ' VAL . 6.9 mt-30 -55.75 -57.16 13.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -33.73 -33.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.924 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -86.02 -47.02 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.27 -43.71 98.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -72.27 -65.03 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 110.978 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -38.33 -56.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.949 HD11 ' C ' ' A' ' 31' ' ' GLU . 13.9 tp -61.68 -36.66 81.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 27.9 t60 -64.06 -48.02 77.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 109.652 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -61.87 -24.55 67.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -86.31 -20.26 28.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.33 23.05 78.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.949 ' C ' HD11 ' A' ' 26' ' ' LEU . 20.3 mm-40 -102.11 178.59 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 110.195 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.7 p -126.47 -171.76 2.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.952 HG11 ' HH2' ' A' ' 59' ' ' TRP . 28.1 m -133.42 131.02 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.827 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.71 79.88 0.0 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.878 ' HB2' ' N ' ' A' ' 71' ' ' GLY . 43.1 t 178.17 -94.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.716 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 52.2 m-20 -121.91 -162.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . 8.6 p -83.93 31.69 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.716 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -82.9 146.06 51.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.5 Cg_endo -75.0 179.85 29.2 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.005 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.664 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 26.2 p80 -179.52 167.56 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.57 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -43.46 166.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.726 ' CD2' HG11 ' A' ' 79' ' ' VAL . 31.4 t80 -148.21 11.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -3.48 85.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.36 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p-10 -60.54 166.72 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -170.02 -43.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 16.8 mt-10 -39.37 -23.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 112.22 58.73 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.876 ' CE1' HG22 ' A' ' 90' ' ' ILE . 86.9 m-85 -101.29 134.39 44.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 0.767 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.63 58.19 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.1 m-30 -56.35 112.33 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.44 0.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.9 m -110.58 150.78 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.953 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 74.2 m -86.83 171.09 11.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.766 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 8.9 p -79.23 164.82 52.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.766 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -75.02 171.03 70.18 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.991 0.023 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.745 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.9 m-30 -115.08 126.2 54.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.939 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.2 m-30 -110.21 119.8 40.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.664 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.7 pt-20 -78.53 139.56 38.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.952 ' HH2' HG11 ' A' ' 33' ' ' VAL . 58.1 t-105 -164.72 139.77 4.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.031 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 148.44 35.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.916 HD12 HG11 ' A' ' 78' ' ' VAL . 10.9 tt -114.0 130.56 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.835 HD13 ' HB2' ' A' ' 66' ' ' ASP . 20.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -69.45 0.53 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -96.9 -13.32 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.67 40.06 9.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.4 m-20 -114.18 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.924 HG22 ' HB2' ' A' ' 22' ' ' ALA . 3.9 t -122.47 106.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.031 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -44.83 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.64 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 83.3 p -97.09 -5.65 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.827 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -132.91 148.92 19.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.878 ' N ' ' HB2' ' A' ' 35' ' ' SER . . . -69.94 43.71 0.51 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.671 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 92.7 p -142.34 50.3 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.752 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.06 -83.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 165.62 161.25 14.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.778 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.42 -33.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.471 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.6 m-20 -67.15 124.66 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.752 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 1.1 mmt180 -141.26 144.24 34.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.126 ' CB ' HD11 ' A' ' 86' ' ' LEU . 4.1 m -114.52 150.21 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.303 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 98.6 t -132.25 114.09 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.939 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.5 p90 -119.69 -155.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.953 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.83 -163.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.783 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 55.2 tt0 -92.46 4.93 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.092 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -95.46 -23.22 17.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.38 21.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.092 HE21 ' ND2' ' A' ' 83' ' ' ASN . 34.1 mt-30 -107.51 115.19 29.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.126 HD11 ' CB ' ' A' ' 78' ' ' VAL . 3.5 tt -99.95 152.74 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -159.52 -42.38 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 1.303 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -51.15 56.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.169 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.5 t -83.47 33.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.902 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.39 175.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.778 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -162.94 148.52 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.664 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.3 m-70 -74.21 11.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.0 83.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.446 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.6 36.44 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.711 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -51.58 -33.57 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.74 ' N ' HD21 ' A' ' 99' ' ' ASN . 14.7 t 137.05 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.48 -117.85 4.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.2 t-20 -95.39 -7.51 38.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 0.787 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.74 HD21 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.88 156.19 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.902 ' CD1' HG13 ' A' ' 90' ' ' ILE . 23.0 m-85 -111.06 169.03 9.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 100' ' ' PHE . 27.7 m -163.79 127.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.515 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -48.37 130.9 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.15 ' O ' ' O ' ' A' ' 5' ' ' THR . 44.9 m -59.51 -7.29 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.286 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.886 HG23 ' C ' ' A' ' 103' ' ' CYS . 2.6 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.526 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -39.67 -28.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 1.202 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.4 m-85 -136.22 114.08 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.698 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.9 m -125.78 104.94 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.8 m -80.61 66.43 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.48 -51.7 4.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.6 p -152.55 48.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.049 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.752 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -122.92 -167.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 44.5 t -170.9 74.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.878 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 22.4 m-85 -88.37 45.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.804 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -27.6 151.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 62.3 p -38.83 -22.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -82.3 -24.97 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.878 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.91 -28.11 28.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.202 HG21 ' CE2' ' A' ' 4' ' ' TYR . 40.8 t -69.51 -67.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.484 ' CA ' ' HG3' ' A' ' 20' ' ' GLN . 6.8 t -40.43 -52.06 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.46 -54.29 7.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.75 -44.07 90.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.731 ' OE1' HG12 ' A' ' 16' ' ' VAL . 3.3 mt-30 -53.85 -57.37 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.27 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.086 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -85.12 -46.94 10.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.5 -44.22 97.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -74.32 -63.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 5.9 tptm -38.58 -58.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.006 HD23 ' HD3' ' A' ' 39' ' ' PRO . 49.0 tp -60.58 -32.22 71.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 37.7 t60 -70.49 -52.24 23.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -53.66 -27.88 29.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -84.8 -14.78 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.79 23.66 77.69 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.056 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.7 mm-40 -107.43 172.8 6.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p -132.98 163.82 28.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.037 HG11 ' HH2' ' A' ' 59' ' ' TRP . 3.5 m -83.56 123.35 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.954 ' O ' ' HB2' ' A' ' 35' ' ' SER . . . -36.37 105.66 0.03 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 1.147 ' HB3' ' N ' ' A' ' 71' ' ' GLY . 0.3 OUTLIER 152.22 -64.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.991 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.712 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -126.49 -157.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.575 ' HA ' HG21 ' A' ' 32' ' ' THR . 51.6 p -109.36 37.98 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.065 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.712 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -94.3 145.88 30.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 1.006 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.06 -170.04 7.92 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.952 0.064 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.8 p80 179.17 168.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.0 OUTLIER -51.98 159.26 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.796 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 21.0 t80 -151.58 -64.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 111.06 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.858 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 81.94 -99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.858 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 3.3 p-10 149.82 174.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 178.52 -47.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.676 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt-10 -45.92 -16.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.43 54.06 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.003 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.3 m-85 -94.37 135.41 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 58.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.712 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.5 m-30 -56.32 109.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.2 p -60.64 0.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.569 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.8 m -111.94 151.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 1.265 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 49.4 m -88.11 176.56 7.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.718 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 23.1 p -77.74 162.12 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.785 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -74.97 173.73 56.33 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.978 -0.001 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.84 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 12.7 m-30 -119.78 113.84 21.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 21.0 m-30 -102.74 120.88 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.698 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -79.91 140.39 36.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.037 ' HH2' HG11 ' A' ' 33' ' ' VAL . 43.5 t-105 -163.01 144.84 7.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 107.989 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.97 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.06 143.99 29.5 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.921 HD12 HG11 ' A' ' 78' ' ' VAL . 7.4 tt -110.76 114.92 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 68' ' ' TYR . 98.4 mt -85.82 120.03 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -56.18 -14.57 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -11.83 48.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.34 36.6 38.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -111.21 -172.92 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.086 HG22 ' HB2' ' A' ' 22' ' ' ALA . 53.7 t -108.38 113.75 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.696 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 10.5 t80 -40.11 167.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.053 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.707 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 71.2 p -104.68 -27.44 11.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 110.002 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 1.085 ' C ' ' HB3' ' A' ' 35' ' ' SER . . . 126.48 159.75 10.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 1.147 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 86.79 -131.55 10.62 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.563 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.1 p -90.93 102.34 5.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 109.958 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.879 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.5 Cg_endo -74.95 -10.04 21.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.24 -103.62 0.66 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -138.25 -47.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 0.715 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.537 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.28 128.03 34.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.632 ' HD3' ' HG2' ' A' ' 73' ' ' PRO . 1.5 mmt-85 -143.08 149.61 38.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.087 ' CB ' HD21 ' A' ' 86' ' ' LEU . 3.5 m -119.37 148.49 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.253 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 85.6 t -131.81 118.05 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -123.53 -158.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.265 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -135.15 -167.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 18.5 tt0 -89.43 8.65 29.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.098 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -98.22 -24.36 15.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.729 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 108.72 19.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.098 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.8 mt-30 -105.7 111.26 23.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.087 HD21 ' CB ' ' A' ' 78' ' ' VAL . 3.7 tp -102.39 143.62 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.065 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -149.59 -45.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 1.253 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -39.65 57.44 0.0 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.128 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.7 t -82.06 35.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.003 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -65.47 173.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.701 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.92 153.64 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.663 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.6 m170 -75.69 12.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.659 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.83 88.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.47 42.02 0.08 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.738 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -60.88 -8.55 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.8 t 100.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.435 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 120.33 -131.89 9.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.098 . . . . 0.0 110.949 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.451 HD22 ' CE1' ' A' ' 92' ' ' HIS . 2.7 t-20 -95.89 12.56 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.738 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -73.64 167.26 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.844 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.8 m-85 -120.27 165.45 14.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 100' ' ' PHE . 34.7 m -162.91 124.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.504 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -52.1 122.31 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.7 m -49.86 176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 5' ' ' THR . 81.0 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.499 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.498 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -130.97 -4.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.774 ' CB ' HG21 ' A' ' 89' ' ' VAL . 79.6 m-85 -137.6 89.36 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.49 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 8.2 m -99.1 103.74 15.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.0 m -81.51 65.14 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.367 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 -55.19 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.602 1.189 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 8.3 p -133.08 54.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 109.984 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.711 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -141.78 -175.31 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.35 62.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.348 -179.921 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -130.14 96.8 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 28.3 p -62.87 -177.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -54.04 -16.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -82.4 -29.71 30.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.69 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.83 -40.24 18.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.09 ' CG1' HD13 ' A' ' 86' ' ' LEU . 94.3 t -55.91 -48.52 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.516 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.7 t -36.3 -53.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -52.15 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.361 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.16 -41.99 89.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.692 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 11.8 mt-30 -60.44 -56.22 24.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.88 -36.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.922 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -73.27 -54.58 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -52.79 -42.68 59.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.677 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 9.3 t80 -68.82 -66.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -33.18 -57.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 33' ' ' VAL . 3.8 tp -62.81 -38.64 91.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.824 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.7 t60 -63.08 -48.33 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.654 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -59.67 -28.69 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.25 -16.38 35.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 22.98 75.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.545 ' HB2' HD12 ' A' ' 26' ' ' LEU . 8.4 mm-40 -100.3 178.51 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.922 ' HA ' HD21 ' A' ' 26' ' ' LEU . 34.6 p -126.21 -177.33 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 26' ' ' LEU . 4.0 m -134.97 125.84 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.569 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 79.36 -144.5 27.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -97.11 -13.65 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.567 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.9 m-20 -79.51 -166.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 p -125.13 45.69 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.6 m-85 -98.39 147.54 33.27 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.903 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -171.42 9.37 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.941 0.069 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -178.96 161.93 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.622 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 42' ' ' TYR . 1.3 tttm -41.29 162.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.706 ' O ' ' C ' ' A' ' 43' ' ' ASN . 14.5 t80 -148.69 11.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -4.79 86.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.754 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -55.08 164.31 0.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.97 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 11.2 mt-10 -43.77 -20.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.64 56.06 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 90' ' ' ILE . 92.5 m-85 -103.41 134.59 46.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.67 68.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.975 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.3 m-30 -69.0 121.27 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -77.09 21.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.995 HG21 ' O ' ' A' ' 85' ' ' GLN . 12.9 m -127.57 147.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 54' ' ' SER . 51.1 m -85.54 135.97 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.743 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -41.07 166.78 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 1.126 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.01 175.52 47.5 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.021 0.055 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 42' ' ' TYR . 22.4 m-85 -115.22 109.01 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.947 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.4 m-30 -95.22 120.55 35.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.704 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.36 122.26 32.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.961 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 45.5 t-105 -137.17 147.15 57.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.961 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 153.85 41.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.493 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 16.6 tt -121.56 114.88 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.378 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 66' ' ' ASP . 25.7 mt -86.4 123.51 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.93 -2.6 5.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -95.66 -15.97 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.04 39.56 9.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.71 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.2 m-20 -113.27 -173.05 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 22' ' ' ALA . 11.9 t -115.5 104.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.209 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.859 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 18.3 t80 -44.55 103.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.494 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 24.9 p -112.04 43.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.669 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -140.59 -160.58 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.671 ' HA2' ' HH ' ' A' ' 68' ' ' TYR . . . -112.65 -23.63 5.29 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -121.35 90.14 47.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.744 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.08 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.571 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 168.02 175.0 37.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.768 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -49.56 -49.5 46.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 0.825 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.582 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 5.9 m-20 -57.71 126.05 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.744 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.62 145.77 27.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.846 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -112.7 135.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.5 t -114.03 136.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.947 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.7 p90 -153.07 161.08 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.286 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.55 -109.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 1.286 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 2.2 tt0 -37.49 -63.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.158 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -163.9 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.888 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.919 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.9 23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.402 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -84.1 30.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.373 179.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.09 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -27.82 114.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.975 ' HB1' ' CG ' ' A' ' 50' ' ' PHE . . . -71.33 -37.07 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 165.19 -140.12 6.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.97 HG12 ' SG ' ' A' ' 103' ' ' CYS . 79.8 t -144.41 90.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.3 pt -84.83 165.23 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.98 153.16 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.768 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 7.8 m170 -83.15 14.28 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.3 84.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.409 1.068 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.714 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -52.12 -36.65 51.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.777 ' N ' HD21 ' A' ' 99' ' ' ASN . 12.0 t 138.02 40.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.42 -117.87 4.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.1 t-20 -93.92 -9.82 35.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.737 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.777 HD21 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -60.54 148.09 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.756 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.3 m-85 -104.92 168.47 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 100' ' ' PHE . 30.9 m -163.29 136.57 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.617 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.09 126.3 26.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.5 m -54.79 -167.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.998 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -129.54 -6.04 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.773 ' CB ' HG21 ' A' ' 89' ' ' VAL . 90.1 m-85 -134.39 87.61 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 9' ' ' ASN . 12.3 m -97.4 102.42 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.8 m -80.75 64.33 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.12 -54.41 0.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.429 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 13.9 p -131.15 53.65 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.759 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.722 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -142.95 -175.49 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.13 60.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.71 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -127.05 99.56 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -64.58 178.6 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.977 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.481 ' N ' ' OG ' ' A' ' 12' ' ' SER . 26.4 p -50.91 -17.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.6 t -81.65 -29.43 33.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.936 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.687 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.74 -40.38 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.059 ' CG1' HD13 ' A' ' 86' ' ' LEU . 95.8 t -56.31 -47.04 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.488 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.3 t -36.38 -52.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.5 -54.85 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.21 -42.32 85.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.715 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 12.8 mt-30 -59.35 -54.69 43.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.37 -38.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.29 -52.16 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.611 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.01 -40.29 58.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.6 t80 -73.39 -71.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -34.56 -52.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.93 HD11 ' C ' ' A' ' 31' ' ' GLU . 9.4 tp -65.88 -38.45 88.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.9 t60 -63.5 -44.74 93.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.641 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.37 -26.87 68.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 6.3 m-20 -83.29 -20.92 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.99 23.93 70.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.571 1.169 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.93 ' C ' HD11 ' A' ' 26' ' ' LEU . 3.7 mm-40 -99.96 177.58 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 69.4 p -130.73 179.08 6.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.859 HG13 HD21 ' A' ' 26' ' ' LEU . 3.0 m -136.63 129.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.73 -147.06 29.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.7 m -96.75 -12.57 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.603 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.2 m-20 -80.21 -164.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.378 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.5 p -123.88 43.59 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.603 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.27 145.33 29.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.612 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 -174.42 14.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.057 -0.025 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.743 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 29.9 p80 178.53 167.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.595 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.34 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.801 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 20.9 t80 -152.99 13.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.691 ' C ' ' O ' ' A' ' 42' ' ' TYR . 8.9 m-20 -4.81 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.744 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -58.27 170.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.744 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -178.04 -43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.946 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.2 mp0 -41.64 -22.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.77 57.8 0.31 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.8 m-85 -101.78 137.67 39.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.83 71.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.898 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 20.4 m-30 -75.0 115.38 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.9 p -75.33 21.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.067 HG21 ' O ' ' A' ' 85' ' ' GLN . 16.1 m -128.67 149.27 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.7 m -89.11 134.82 33.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.857 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -43.44 173.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.971 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.07 149.62 94.01 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.99 0.038 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 42' ' ' TYR . 24.9 m-85 -90.0 114.26 26.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -97.63 119.98 37.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.801 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -87.75 126.08 34.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.057 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.3 t-105 -143.6 148.73 44.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.057 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.96 156.22 43.14 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.504 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.6 tt -123.59 119.02 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.716 HD13 ' HB2' ' A' ' 66' ' ' ASP . 28.7 mt -91.65 119.43 31.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -64.38 -5.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -16.63 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.32 37.63 9.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.716 ' HB2' HD13 ' A' ' 62' ' ' LEU . 57.0 m-20 -111.53 -170.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.911 HG22 ' HB2' ' A' ' 22' ' ' ALA . 4.4 t -118.99 106.53 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.362 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.899 ' OH ' ' HA2' ' A' ' 71' ' ' GLY . 5.7 t80 -43.74 137.79 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.764 ' O ' ' O ' ' A' ' 70' ' ' GLY . 55.8 p -123.97 -67.29 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.764 ' O ' ' O ' ' A' ' 69' ' ' SER . . . -44.81 -155.26 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.899 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -116.91 -10.14 10.23 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.7 p -116.03 81.69 10.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.713 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.1 Cg_endo -75.04 -56.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 145.01 169.38 13.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.757 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -49.1 -45.66 43.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.602 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 6.7 m-20 -59.13 125.62 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.713 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.93 145.19 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.795 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -109.4 141.77 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.945 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.4 t -120.16 135.45 60.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -152.38 162.26 41.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.273 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.53 -110.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 1.273 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 1.6 tt0 -36.93 -63.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.156 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -163.45 -78.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.934 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.98 23.87 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.39 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.96 31.42 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.059 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -28.01 114.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.945 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.37 -36.46 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 164.39 -136.32 4.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.001 HG12 ' SG ' ' A' ' 103' ' ' CYS . 70.1 t -147.79 91.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.821 HD13 ' CG2' ' A' ' 79' ' ' VAL . 1.4 pt -85.17 164.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.29 146.2 11.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.633 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 7.9 m170 -71.5 22.02 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.603 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -44.32 86.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.978 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -46.27 170.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.751 ' N ' HD21 ' A' ' 99' ' ' ASN . 13.2 t -68.48 11.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 156.11 -124.36 1.46 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -92.43 1.09 57.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.22 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.978 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 6.9 p30 -64.1 -162.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.67 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 42.4 m-85 -141.54 172.81 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 100' ' ' PHE . 27.6 m -161.07 133.15 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.1 OUTLIER -58.83 126.11 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.05 -162.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.749 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.472 ' N ' ' HB3' ' A' ' 12' ' ' SER . 9.7 m-20 -137.41 -5.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.896 ' CG ' HG21 ' A' ' 89' ' ' VAL . 85.6 m-85 -133.89 94.41 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 9' ' ' ASN . 11.5 m -100.89 104.81 16.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.0 m -81.49 64.61 6.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.11 -54.13 1.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.426 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 19.4 p -133.12 52.12 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.757 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.09 -175.28 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.749 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.0 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.28 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.711 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -125.47 99.23 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.472 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 64.2 p -63.49 178.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.72 -16.79 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.81 -29.41 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.68 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.93 -39.42 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.014 ' CG1' HD13 ' A' ' 86' ' ' LEU . 88.0 t -56.52 -47.27 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.476 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 10.8 t -37.56 -50.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -49.8 -56.12 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.436 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.673 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -56.77 -42.95 80.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.666 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.4 mt-30 -57.21 -54.95 41.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.1 -37.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.212 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.949 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.01 -53.53 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.541 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.63 -40.15 39.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.157 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.771 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 7.2 t80 -72.46 -72.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 36.8 tptt -35.8 -51.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.919 HD11 ' C ' ' A' ' 31' ' ' GLU . 13.5 tp -67.67 -35.36 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.807 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 17.4 t60 -66.88 -45.68 77.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.643 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.85 -23.09 65.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 56.2 m-20 -84.26 -22.05 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.08 23.32 71.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.919 ' C ' HD11 ' A' ' 26' ' ' LEU . 3.2 mm-40 -97.7 178.58 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 82.7 p -136.08 170.4 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.912 HG13 HD21 ' A' ' 26' ' ' LEU . 3.1 m -133.68 136.14 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.482 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.6 -150.41 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 m -98.87 0.14 43.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.629 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.9 m-20 -94.25 -165.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.2 p -121.79 42.07 3.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.629 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-30 -92.82 148.41 35.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.639 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.96 -172.8 11.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.016 -0.054 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.627 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 -177.74 171.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.546 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.502 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -53.66 168.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.705 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -160.11 -25.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.848 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-80 51.94 -107.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.848 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.4 p-10 153.67 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.05 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 111.066 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.96 -20.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.49 59.34 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.368 1.043 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.862 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.5 m-85 -100.59 136.81 39.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 66.2 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.916 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 14.1 m-30 -70.74 101.58 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -73.14 24.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.044 HG21 ' O ' ' A' ' 85' ' ' GLN . 13.4 m -128.17 148.12 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 54' ' ' SER . 7.0 t -85.34 136.56 33.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.172 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.748 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.2 p -41.72 165.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 1.073 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.04 175.89 45.89 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.927 0.147 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 19.7 m-85 -116.38 105.92 13.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.912 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.4 m-30 -92.22 144.94 24.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -109.22 134.34 51.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 32.6 t-105 -156.45 141.23 12.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.152 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.1 148.62 35.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.673 HG13 ' HB2' ' A' ' 19' ' ' ALA . 4.3 tt -114.16 116.65 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 68' ' ' TYR . 95.8 mt -82.72 120.77 26.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 p -57.63 -13.93 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.021 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.59 -18.2 39.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.64 34.44 13.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.91 -174.05 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.1 t -105.15 106.42 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.152 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -42.63 112.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.974 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 p -102.19 -73.33 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' SER . . . -55.88 123.78 31.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.482 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.64 65.41 0.11 Allowed Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.717 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.3 t -149.29 47.8 0.52 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.717 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.04 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.774 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 20.97 92.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.43 1.081 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.094 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.35 -85.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.254 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.679 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 50.4 m-20 -93.1 131.17 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.959 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -151.83 137.34 17.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.859 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.52 129.23 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.976 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.6 t -101.77 137.99 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.8 p90 -153.33 162.45 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.301 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.2 -107.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 1.301 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 30.1 tt0 -39.32 -63.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.237 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.159 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.55 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.909 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.54 22.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.431 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.64 33.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.014 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -30.29 114.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.976 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.04 -37.39 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.516 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 170.98 -147.85 10.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.983 HG12 ' SG ' ' A' ' 103' ' ' CYS . 88.8 t -139.12 84.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.862 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -82.74 164.41 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 1.094 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -159.97 158.7 31.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.918 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.586 ' CE1' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m170 -80.3 -12.93 59.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.548 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -33.76 103.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 96' ' ' SER . . . 35.06 40.5 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 1.102 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -68.97 58.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 95' ' ' ALA . 0.7 OUTLIER 29.68 35.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.65 -128.33 5.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.5 t-20 -98.99 1.22 45.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 1.102 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -62.72 179.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 28.7 m-85 -123.23 159.99 27.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.598 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 23.8 m -160.12 133.97 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -52.3 125.63 16.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -53.33 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 108.388 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 52.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.506 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.492 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -127.5 -7.15 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.794 ' CG ' HG21 ' A' ' 89' ' ' VAL . 79.1 m-85 -134.08 84.04 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.476 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 10.2 m -93.47 103.24 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.9 m -81.39 63.11 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.15 -54.61 1.08 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.441 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 17.4 p -131.45 52.74 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.733 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -141.37 -175.04 4.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.36 60.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 108.339 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.726 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -127.92 96.75 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.954 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.492 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 44.1 p -65.2 -178.14 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.4 p -52.11 -17.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -81.07 -30.17 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.712 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.07 -43.59 16.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.081 ' CG1' HD12 ' A' ' 86' ' ' LEU . 92.6 t -53.95 -48.52 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.559 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 41.6 t -37.17 -55.5 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.78 -49.73 27.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.91 -41.64 98.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.772 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 13.9 mt-30 -59.34 -55.68 31.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.77 -36.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.813 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.34 -52.77 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.597 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.61 -40.31 47.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.585 1.178 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 6.4 t80 -74.18 -71.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TYR . 41.9 tptt -35.32 -50.87 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.963 HD11 ' C ' ' A' ' 31' ' ' GLU . 11.2 tp -68.3 -35.95 78.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 20.0 t60 -65.89 -44.68 84.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.651 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.17 -28.47 69.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 7.6 m-20 -81.45 -19.43 42.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.48 22.92 76.69 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.963 ' C ' HD11 ' A' ' 26' ' ' LEU . 4.8 mm-40 -97.03 179.59 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.587 ' N ' HD11 ' A' ' 26' ' ' LEU . 67.1 p -134.82 175.39 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.9 HG13 ' CD2' ' A' ' 26' ' ' LEU . 4.5 m -131.87 162.36 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 51.44 -152.58 5.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -99.34 22.47 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.663 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -114.3 -165.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.228 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -120.55 40.37 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.663 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -94.25 150.05 37.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.603 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.08 -170.16 8.03 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.975 -2.511 . . . . 0.0 110.956 0.061 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.73 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.3 p80 179.18 170.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -47.66 168.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.697 ' O ' ' C ' ' A' ' 43' ' ' ASN . 37.9 t80 -151.15 12.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.697 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -8.03 87.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.779 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -58.63 170.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.13 -42.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -42.46 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 117.94 56.11 0.29 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.769 ' CE1' HG22 ' A' ' 90' ' ' ILE . 79.7 m-85 -103.62 132.11 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.75 72.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.91 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.3 m-30 -74.86 116.57 15.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.6 p -74.0 27.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.022 HG21 ' O ' ' A' ' 85' ' ' GLN . 13.1 m -133.91 147.57 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.374 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 54' ' ' SER . 58.1 m -88.69 134.97 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.914 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -43.55 172.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.967 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -75.07 151.07 96.35 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.078 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' TYR . 25.6 m-85 -90.97 113.42 25.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.7 m-30 -97.03 124.87 41.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.73 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -89.85 134.24 34.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.799 ' HH2' HG11 ' A' ' 33' ' ' VAL . 59.1 t-105 -153.42 137.32 10.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.203 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 149.01 36.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.558 1.82 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.602 ' HB ' HG13 ' A' ' 78' ' ' VAL . 8.3 tt -113.68 123.17 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 68' ' ' TYR . 79.4 mt -90.6 116.76 28.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -53.11 -18.48 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.17 -16.77 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.72 33.47 21.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -109.63 -174.09 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.813 HG22 ' HB2' ' A' ' 22' ' ' ALA . 18.1 t -105.31 107.88 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 1.203 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 7.1 t80 -40.52 94.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.458 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 14.4 p -119.91 21.87 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.392 1.057 . . . . 0.0 110.002 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.513 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -101.83 -75.58 1.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 122.6 33.5 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.799 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -141.28 42.3 0.46 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.98 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.799 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -75.04 -101.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.971 ' C ' ' HE ' ' A' ' 77' ' ' ARG . . . 83.38 -83.18 1.62 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.719 ' O ' ' HG2' ' A' ' 77' ' ' ARG . . . -44.46 -103.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.972 ' O ' ' CD ' ' A' ' 77' ' ' ARG . 59.0 m-20 -58.46 127.03 30.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.972 ' CD ' ' O ' ' A' ' 76' ' ' ASP . 5.9 mmt180 -155.78 140.07 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.812 HG11 HG13 ' A' ' 16' ' ' VAL . 2.4 m -109.46 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.397 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.927 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.9 t -123.2 139.51 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -153.85 162.85 40.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.279 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.12 -112.15 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 1.279 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 35.7 tt0 -35.68 -62.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.192 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.38 -78.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.919 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.59 21.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.428 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -81.28 27.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.161 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -24.26 117.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.927 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.26 -42.51 62.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.38 -139.08 5.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.426 1.079 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.973 HG12 ' SG ' ' A' ' 103' ' ' CYS . 89.7 t -147.16 91.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.774 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -85.76 165.79 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.12 158.0 24.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.613 ' H ' ' HA ' ' A' ' 75' ' ' ALA . 19.4 m170 -83.08 1.61 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.523 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -38.83 91.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.17 41.53 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.422 1.076 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.628 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -63.25 -9.37 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.1 t 97.06 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.18 -131.43 9.05 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.22 3.4 54.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.62 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -64.39 159.69 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' A' ' 90' ' ' ILE . 11.9 m-85 -114.91 161.76 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.617 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.0 m -161.3 134.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -52.89 125.09 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.7 m -55.6 -164.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 -179.985 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.682 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -42.32 -27.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.809 ' CG ' HG21 ' A' ' 89' ' ' VAL . 70.2 m-85 -137.45 104.16 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.571 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -115.02 103.56 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.8 m -79.17 65.83 4.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.69 -46.01 3.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -161.77 47.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.78 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.6 -165.67 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.39 1.056 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.82 77.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 108.325 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.928 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.3 m-85 -91.41 43.68 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.842 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.1 p -24.91 148.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.9 p -37.49 -24.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 12' ' ' SER . 28.7 t -81.7 -23.91 36.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.928 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -81.84 -31.14 31.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.006 HG11 ' CD1' ' A' ' 86' ' ' LEU . 57.3 t -74.57 -63.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.526 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 3.9 t -38.94 -51.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -50.84 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.04 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.845 ' OE1' HG12 ' A' ' 16' ' ' VAL . 16.7 mt-30 -58.02 -54.68 44.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.11 -41.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.754 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -73.57 -50.97 18.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.591 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.86 -40.35 57.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.709 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.9 t80 -73.99 -73.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.26 -51.79 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.902 HD21 HG13 ' A' ' 33' ' ' VAL . 53.8 tp -67.15 -36.82 82.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 12.3 t60 -64.34 -43.87 93.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.625 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.19 -26.88 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 60.9 m-20 -78.91 -23.39 44.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.95 19.03 75.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.622 ' HB2' HD12 ' A' ' 26' ' ' LEU . 4.3 mm-40 -97.17 175.86 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.7 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 11.7 p -130.26 177.16 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.902 HG13 HD21 ' A' ' 26' ' ' LEU . 3.9 m -133.78 135.02 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 75.64 -145.65 33.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -97.96 -7.93 29.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.601 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -83.87 -166.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.9 p -123.43 41.3 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.7 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.3 m-85 -95.29 148.32 34.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.812 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.03 -173.15 11.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.916 -2.535 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.675 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 26.5 p80 179.78 171.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.63 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' CD ' ' ND2' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -54.22 168.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.917 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.771 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -160.29 -27.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.863 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 35.1 m-80 52.52 -105.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 109.365 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.863 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.3 p-10 152.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.805 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.43 -46.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.59 -19.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.03 56.32 0.46 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.602 1.189 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.864 ' CE1' HG22 ' A' ' 90' ' ' ILE . 85.3 m-85 -100.29 137.15 39.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.24 72.13 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.797 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.4 m-30 -77.1 101.83 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.6 p -71.74 33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.059 HG21 ' O ' ' A' ' 85' ' ' GLN . 22.2 m -137.23 149.56 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 54' ' ' SER . 3.4 m -85.97 130.84 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.841 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -42.37 171.29 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.992 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -74.88 153.16 99.02 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.982 -0.123 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 25.7 m-85 -94.2 111.76 23.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.904 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -94.48 147.26 23.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.7 pp20? -111.57 135.73 51.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.934 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 55.3 t-105 -154.41 143.81 15.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.934 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.02 152.29 40.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.546 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 15.2 tt -116.87 131.16 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.931 HD23 ' CE2' ' A' ' 68' ' ' TYR . 72.8 mt -94.5 122.86 37.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -61.51 -9.38 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.22 -11.66 37.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.82 34.29 27.94 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' C ' HD12 ' A' ' 62' ' ' LEU . 17.3 m-20 -114.77 -163.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 22' ' ' ALA . 10.4 t -114.18 124.16 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.931 ' CE2' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -72.43 102.88 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.951 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.588 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 31.6 p -98.96 -54.89 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.491 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -38.71 -41.84 1.31 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.66 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 85.6 34.88 12.6 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.792 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 46.3 t -125.71 42.63 0.8 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.754 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 15.48 91.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 140.68 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.629 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 13.0 m-20 -67.37 127.88 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.858 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -150.58 136.76 18.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.89 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -106.16 133.69 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.811 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.9 t -108.33 138.87 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.904 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -154.25 160.03 41.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.545 ' ND2' ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -99.18 -114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 1.346 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 0.8 OUTLIER -39.72 -60.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.197 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.68 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.898 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.3 p30 -81.71 20.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.545 ' CG ' ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -81.01 36.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.006 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -30.01 114.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.811 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -79.37 -40.18 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.89 -143.31 8.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.92 HG12 ' SG ' ' A' ' 103' ' ' CYS . 36.8 t -147.35 91.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 0.794 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.864 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -83.73 163.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.855 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.74 158.68 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.401 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.745 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.5 m170 -90.44 -8.34 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.513 -179.935 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.09 -18.85 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.853 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -125.83 34.57 3.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.852 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -130.73 -44.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 77.03 55.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.428 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.37 -134.6 5.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.584 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -93.57 -10.96 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 0.728 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.852 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -65.01 157.56 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.745 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -121.0 162.04 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.853 HG21 ' O ' ' A' ' 94' ' ' GLY . 32.7 m -161.21 134.08 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -56.5 123.46 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -55.52 -167.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.963 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.717 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER -135.15 -10.08 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.798 ' CB ' HG21 ' A' ' 89' ' ' VAL . 90.2 m-85 -129.23 95.72 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 9' ' ' ASN . 20.3 m -103.15 103.93 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.3 m -81.94 67.12 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.71 -54.75 0.96 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.4 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 6.7 p -132.46 53.73 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.469 0.747 . . . . 0.0 109.996 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.768 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.1 m-80 -141.03 -176.64 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.717 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -176.78 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 108.283 179.946 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.707 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -124.77 100.15 6.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.427 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 79.6 p -63.73 178.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.405 ' HB3' HD21 ' A' ' 86' ' ' LEU . 1.4 p -51.46 -17.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.28 -28.83 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.707 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.84 -41.49 17.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.033 HG11 HD13 ' A' ' 86' ' ' LEU . 98.2 t -55.28 -45.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.504 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 39.5 t -36.76 -50.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -50.42 -54.77 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -57.49 -41.9 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.69 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.7 mt-30 -57.94 -55.14 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.78 -36.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.979 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.92 -53.45 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.745 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.01 -40.5 43.41 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 8.8 t80 -72.76 -68.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -35.15 -55.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.894 HD11 ' C ' ' A' ' 31' ' ' GLU . 20.6 tp -64.41 -34.33 77.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.861 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 26.5 t60 -67.35 -49.95 61.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -55.48 -27.47 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.18 -16.9 34.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.91 26.93 73.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.894 ' C ' HD11 ' A' ' 26' ' ' LEU . 59.6 mm-40 -108.99 170.89 7.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.76 HG21 ' HA ' ' A' ' 37' ' ' SER . 81.4 p -122.09 173.49 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.022 HG11 ' HH2' ' A' ' 59' ' ' TRP . 16.5 m -104.59 123.11 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.833 ' O ' ' OG ' ' A' ' 35' ' ' SER . . . -11.69 85.28 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.943 ' CB ' ' N ' ' A' ' 71' ' ' GLY . 51.6 m 154.99 -140.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' SER . 9.6 m-20 -49.94 -154.85 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.76 ' HA ' HG21 ' A' ' 32' ' ' THR . 19.2 p -108.85 38.43 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.65 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -82.99 141.34 43.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.881 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.92 -177.62 21.0 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.634 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.9 p80 -176.25 166.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.612 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.15 168.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.709 ' O ' ' C ' ' A' ' 43' ' ' ASN . 18.9 t80 -151.79 12.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.709 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.5 m-80 -5.88 88.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.8 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.5 p-10 -60.05 176.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.8 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.07 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.964 179.94 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -42.37 -21.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 118.56 56.02 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.744 ' CE1' HG22 ' A' ' 90' ' ' ILE . 85.5 m-85 -100.32 132.21 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.84 69.62 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 1.014 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.2 m-30 -72.45 118.35 15.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -76.29 25.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.984 HG21 ' O ' ' A' ' 85' ' ' GLN . 6.4 m -131.94 147.23 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.501 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.2 m -85.87 135.82 33.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.817 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 5.9 p -39.94 166.39 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 1.075 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -74.98 178.11 36.1 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.069 -0.082 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 42' ' ' TYR . 22.8 m-85 -117.92 107.81 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.975 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -95.02 123.31 38.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.7 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.5 pt-20 -93.45 125.93 38.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 1.11 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 32.4 t-105 -142.64 150.78 55.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 107.978 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 1.11 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.97 151.85 40.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.524 ' CD1' HG22 ' A' ' 16' ' ' VAL . 21.1 tt -119.27 113.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 68' ' ' TYR . 97.4 mt -84.23 118.77 24.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t -54.64 -14.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -87.64 -12.67 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.07 34.26 33.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -108.71 -170.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.22 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.979 HG22 ' HB2' ' A' ' 22' ' ' ALA . 39.6 t -114.17 112.05 38.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.683 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 10.3 t80 -41.79 158.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.451 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.5 p -98.36 -24.5 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.807 ' HA2' HG23 ' A' ' 33' ' ' VAL . . . 127.99 151.67 7.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.514 1.133 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.943 ' N ' ' CB ' ' A' ' 35' ' ' SER . . . 101.98 -138.79 14.09 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.645 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 52.9 m -90.27 99.33 1.87 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.962 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.3 Cg_endo -74.9 4.48 4.65 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' C ' HH12 ' A' ' 77' ' ' ARG . . . 110.74 -102.09 1.45 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.724 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -141.77 -40.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 0.723 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.665 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 3.7 m-20 -62.4 132.02 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.665 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 15.6 mmt-85 -150.8 146.73 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.772 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.63 134.94 54.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.991 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -111.61 134.76 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.975 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -152.34 162.68 40.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 1.271 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.77 -107.13 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 1.271 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 24.4 tt0 -38.14 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.139 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.2 -77.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.92 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -86.68 23.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 1.418 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.54 29.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.033 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -27.53 114.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.946 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.014 ' HB1' ' CG ' ' A' ' 50' ' ' PHE . . . -70.62 -38.45 73.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.499 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 168.92 -136.32 4.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.985 HG12 ' SG ' ' A' ' 103' ' ' CYS . 89.2 t -147.41 90.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.775 HD13 ' CG2' ' A' ' 79' ' ' VAL . 2.1 pt -85.99 165.36 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.724 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -155.54 147.31 23.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 -179.923 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.801 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.3 m170 -69.96 8.78 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.596 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -46.25 72.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.801 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 66.61 -55.58 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.781 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . 40.07 23.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 94' ' ' GLY . 6.9 t 70.27 18.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.072 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 148.34 -128.47 2.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.4 t-20 -95.76 7.86 45.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.781 ' ND2' ' O ' ' A' ' 95' ' ' ALA . 1.3 m-80 -66.07 -159.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.781 ' O ' HG13 ' A' ' 101' ' ' VAL . 46.3 m-85 -141.99 165.78 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 100' ' ' PHE . 21.6 m -163.73 135.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.607 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.05 125.93 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.341 179.93 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.8 m -55.51 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.342 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -36.7 125.51 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -125.56 -10.38 6.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.728 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 86.9 m-85 -131.18 88.11 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 9' ' ' ASN . 7.4 m -99.17 107.93 20.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.114 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 12.4 m -84.11 64.63 8.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.36 -54.06 0.64 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.458 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 15.0 p -130.56 54.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 0.796 . . . . 0.0 109.952 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.74 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -144.31 -175.09 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.61 61.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 108.329 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.728 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.82 97.23 4.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.495 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -63.15 179.0 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.495 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -50.85 -17.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -80.58 -30.29 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.66 -41.93 17.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.037 HG11 ' CD1' ' A' ' 86' ' ' LEU . 75.6 t -53.36 -51.14 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.525 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.3 t -35.7 -55.83 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.75 -50.55 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -61.03 -41.68 97.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.646 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.3 mt-30 -59.91 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.377 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -34.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.105 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.58 -56.55 5.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.587 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.55 -43.77 85.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.67 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 3.3 t80 -63.52 -63.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 21.2 tptm -38.78 -61.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.028 HD22 HG13 ' A' ' 33' ' ' VAL . 2.7 tp -57.84 -35.24 70.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.843 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.4 t60 -66.33 -51.05 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.75 -26.22 61.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -16.66 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.77 22.79 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HB2' HD12 ' A' ' 26' ' ' LEU . 66.5 mm-40 -99.25 176.89 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.935 ' HA ' HD21 ' A' ' 26' ' ' LEU . 76.9 p -129.02 178.57 6.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.028 HG13 HD22 ' A' ' 26' ' ' LEU . 2.9 m -135.09 124.61 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.575 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 85.13 -149.77 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.1 p -95.85 -10.7 28.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -83.49 -163.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.6 p -126.44 46.17 2.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.7 m-85 -96.48 145.43 29.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.872 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -171.86 9.97 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.974 0.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.59 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.0 p80 -178.48 162.35 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.585 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -44.12 155.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 12.0 t80 -144.4 10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -7.94 88.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.785 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -51.11 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.785 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.46 -43.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -44.24 -20.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 119.11 54.91 0.27 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.563 1.165 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.3 m-85 -99.75 133.35 44.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.89 69.05 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.742 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 15.0 m-30 -75.75 102.68 5.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.9 p -71.42 29.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.603 ' H ' ' C ' ' A' ' 50' ' ' PHE . 14.4 m -129.87 160.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.678 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.6 t -90.17 147.53 23.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.952 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.872 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -73.02 172.26 8.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.872 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.992 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.613 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-85 -98.18 128.19 44.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.0 m-30 -107.64 126.47 52.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 8.6 pt-20 -92.37 135.14 34.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.09 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 28.1 t-105 -146.74 149.86 37.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.09 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.97 151.93 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.413 1.744 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.91 HD12 ' CG1' ' A' ' 78' ' ' VAL . 9.3 tt -120.56 117.97 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 68' ' ' TYR . 88.2 mt -87.38 120.66 28.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -57.7 -10.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.04 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -90.03 -15.64 31.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.948 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.33 38.39 15.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -113.68 -172.73 2.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.105 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.0 t -109.46 108.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.74 ' OH ' ' N ' ' A' ' 72' ' ' SER . 17.5 t80 -43.73 161.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.429 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 30.3 p -162.37 52.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.648 ' O ' ' CE2' ' A' ' 68' ' ' TYR . . . -161.84 -167.85 22.88 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.498 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -101.18 -31.85 5.47 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 13.8 m -112.77 83.91 6.19 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.66 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.592 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 149.43 171.89 18.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.81 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -54.47 -45.24 73.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.631 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 7.6 m-20 -59.65 126.33 27.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.66 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -151.59 139.78 20.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.939 ' CG1' HG13 ' A' ' 16' ' ' VAL . 1.9 m -105.73 144.59 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.88 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -121.59 138.81 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.903 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -147.39 -161.64 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.813 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.1 OUTLIER -133.35 -164.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.638 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.5 tt0 -92.79 19.8 7.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.813 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.74 -30.18 9.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 110.96 21.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 109.345 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.837 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 56.0 mt-30 -96.04 -175.09 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.037 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -128.96 127.16 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.88 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.7 -39.89 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.519 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 165.13 -137.82 4.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.559 1.162 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 103' ' ' CYS . 19.7 t -147.98 96.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 0.792 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.806 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -90.64 166.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.81 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.11 150.18 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.732 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.5 m170 -76.43 15.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.74 87.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 35.21 40.27 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.702 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -58.28 -13.06 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.1 t 99.59 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 110.008 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.44 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 122.04 -131.94 8.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -94.58 9.57 38.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.754 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.702 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -73.26 158.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.732 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -112.03 167.58 10.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.3 m -162.68 133.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -53.69 125.71 19.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 110.251 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.114 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.2 m -56.48 -168.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.178 . . . . 0.0 108.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -32.38 124.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 108.301 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -128.96 -11.03 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.765 ' CB ' HG21 ' A' ' 89' ' ' VAL . 91.1 m-85 -130.17 91.28 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.147 . . . . 0.0 111.046 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 9' ' ' ASN . 53.5 m -100.22 103.99 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 9.3 m -81.72 65.41 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.7 -55.09 0.72 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 12.2 p -130.55 54.52 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.787 ' O ' HG23 ' A' ' 5' ' ' THR . 1.0 OUTLIER -143.23 -176.23 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.728 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.97 101.26 6.49 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -62.72 178.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.461 ' N ' ' OG ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -51.89 -17.24 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.3 t -81.7 -29.39 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.74 -42.59 16.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.045 HG11 HD13 ' A' ' 86' ' ' LEU . 62.0 t -50.26 -50.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' VAL . 12.2 t -36.22 -53.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.81 -54.47 7.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.787 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.56 -41.71 86.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 11.0 mt-30 -59.48 -54.9 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.69 -38.6 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.921 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.84 -53.14 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -56.37 -41.82 88.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.173 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.656 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 8.8 t80 -67.89 -67.23 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 0.788 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 24.1 tptm -42.15 -53.29 4.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.961 ' CD2' HG13 ' A' ' 33' ' ' VAL . 11.1 tp -62.9 -35.13 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.872 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.8 t60 -65.75 -47.01 76.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.645 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.618 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -62.93 -25.05 68.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.5 m-20 -84.49 -22.11 30.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 24.03 69.37 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.502 1.127 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.936 ' C ' HD11 ' A' ' 26' ' ' LEU . 24.3 mm-40 -100.91 176.8 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 0.795 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.9 p -128.01 -178.33 4.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.961 HG13 ' CD2' ' A' ' 26' ' ' LEU . 13.2 m -136.43 131.33 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 72.38 -149.87 44.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.2 p -97.66 14.24 27.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 0.734 . . . . 0.0 109.943 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -102.76 -167.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -123.01 40.1 3.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -97.25 145.94 30.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.587 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.0 -171.58 9.59 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.962 0.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.616 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.3 p80 179.46 162.62 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.58 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.13 168.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.708 ' O ' ' C ' ' A' ' 43' ' ' ASN . 33.2 t80 -151.03 12.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.708 ' C ' ' O ' ' A' ' 42' ' ' TYR . 2.2 m-80 -7.63 85.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -53.25 158.23 1.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.386 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -166.95 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.7 mm-40 -43.26 -21.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.69 57.18 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.695 ' CZ ' ' OH ' ' A' ' 42' ' ' TYR . 81.9 m-85 -100.02 133.24 44.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 0.816 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.45 74.59 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.749 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 18.2 m-30 -81.06 109.01 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -75.11 28.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.06 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' A' ' 50' ' ' PHE . 5.2 m -129.87 158.53 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.693 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 m -88.08 149.7 23.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.889 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -74.71 173.36 6.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.889 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.5 Cg_endo -75.02 157.34 99.66 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.031 -0.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.7 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.1 m-85 -97.29 127.3 43.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.872 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 12.4 m-30 -107.9 123.82 49.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.9 pt-20 -92.34 128.95 38.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.018 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 25.2 t-105 -144.03 148.24 41.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.018 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.02 153.19 41.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.787 HG13 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tt -123.73 114.99 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 68' ' ' TYR . 60.6 mt -84.07 121.46 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -7.72 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.982 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -88.99 -20.01 24.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.4 36.41 8.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -112.64 -172.66 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.921 HG22 ' HB2' ' A' ' 22' ' ' ALA . 23.8 t -111.24 108.12 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.534 1.146 . . . . 0.0 109.198 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.894 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.4 t80 -40.13 138.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.595 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 18.3 p -149.29 60.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.605 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -159.84 -144.99 4.13 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.737 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.21 -31.85 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 74' ' ' GLY . 84.1 p -116.3 82.65 12.0 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.669 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 43.67 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.056 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 71.28 -97.48 0.68 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.692 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -154.01 -37.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.725 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.7 m-20 -59.51 132.33 53.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.725 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.6 mmt-85 -151.43 145.15 25.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.952 ' CG1' HG13 ' A' ' 16' ' ' VAL . 5.5 m -113.27 138.9 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 82.2 t -114.24 137.79 46.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.843 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.5 p90 -148.85 -158.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.783 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -140.48 -171.32 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.656 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 11.1 tp10 -87.42 12.0 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.106 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.25 -23.23 13.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.182 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.65 24.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.106 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.7 mt-30 -106.34 133.36 51.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.045 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.3 131.84 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.17 -39.0 63.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 167.96 -137.08 4.4 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.419 1.074 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.98 HG12 ' SG ' ' A' ' 103' ' ' CYS . 86.1 t -148.39 90.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.833 HD13 ' CG2' ' A' ' 79' ' ' VAL . 1.6 pt -86.78 166.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.692 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -160.84 150.21 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 110.37 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.611 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.8 m170 -73.4 16.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.716 HG22 ' H ' ' A' ' 94' ' ' GLY . 98.6 m -58.71 -125.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.716 ' H ' HG22 ' A' ' 93' ' ' THR . . . -68.76 49.83 0.48 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -81.74 -31.01 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.9 t 80.5 36.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.053 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.61 -134.24 5.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.162 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -96.68 8.13 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.513 ' ND2' ' H ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -69.98 -165.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.708 ' O ' HG13 ' A' ' 101' ' ' VAL . 38.4 m-85 -141.25 166.18 25.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 100' ' ' PHE . 32.6 m -162.47 134.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.4 125.66 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.9 m -55.42 -165.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.64 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -106.87 60.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 108.312 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -39.59 -29.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.158 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.3 m-85 -139.25 109.32 6.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.547 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -118.28 106.15 12.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -80.72 66.5 6.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.3 -47.49 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.448 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.8 p -157.96 49.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.807 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -124.27 -166.8 1.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.64 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.46 76.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.333 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.888 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m-85 -90.67 50.78 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.798 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -27.76 152.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 p -39.15 -23.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.052 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.0 t -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.888 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -82.31 -22.28 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.158 HG21 ' CE2' ' A' ' 4' ' ' TYR . 42.9 t -76.46 -71.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.521 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -41.6 -54.02 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -49.51 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.603 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -60.76 -43.75 97.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.061 ' OE1' HG12 ' A' ' 16' ' ' VAL . 8.3 mt-30 -61.52 -58.95 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.88 -36.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.963 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.65 -53.2 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -56.26 -44.44 89.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.584 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.2 t80 -69.48 -63.69 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 0.769 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 23.0 tptm -34.73 -61.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.379 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.98 HD22 HG13 ' A' ' 33' ' ' VAL . 3.0 tp -58.57 -38.22 77.43 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.851 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.2 t60 -64.04 -49.36 72.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -59.31 -26.98 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -88.36 -16.12 33.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.78 22.31 74.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.523 ' HB2' HD12 ' A' ' 26' ' ' LEU . 65.5 mm-40 -99.57 176.06 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.885 ' HA ' HD21 ' A' ' 26' ' ' LEU . 79.1 p -126.76 -178.5 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.172 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.98 HG13 HD22 ' A' ' 26' ' ' LEU . 3.5 m -136.16 123.08 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.565 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 83.32 -148.91 25.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -96.15 -8.66 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.602 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -84.31 -163.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 39' ' ' PRO . 52.6 p -125.99 46.5 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -97.62 147.37 32.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.878 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -166.04 4.6 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.995 -0.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.644 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.3 p80 179.63 166.54 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -46.65 169.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 33.3 t80 -154.64 14.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.6 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.793 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -52.93 172.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.793 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 176.54 -43.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -44.75 -20.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.6 56.69 0.35 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.709 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 78.1 m-85 -100.46 132.01 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 111.054 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.03 69.08 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.985 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.7 m-30 -76.77 108.5 9.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -77.0 25.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.526 HG23 ' CE1' ' A' ' 56' ' ' TYR . 9.0 m -125.92 155.42 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.722 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 17.0 m -88.54 145.94 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.869 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -68.95 172.17 5.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.869 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 157.53 99.52 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.985 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.693 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.9 m-85 -98.06 129.35 44.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.914 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.5 m-30 -110.32 126.0 53.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.644 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.9 pp20? -87.24 140.46 29.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.943 ' O ' ' N ' ' A' ' 78' ' ' VAL . 55.1 t-105 -156.21 144.86 14.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.939 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 146.74 32.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.445 1.761 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.512 HG22 ' CB ' ' A' ' 76' ' ' ASP . 12.4 tt -114.56 116.66 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.612 1.195 . . . . 0.0 109.22 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 66' ' ' ASP . 21.8 mt -87.27 124.46 33.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.19 0.48 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -99.09 -14.47 19.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.15 39.8 9.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.753 ' HB2' HD13 ' A' ' 62' ' ' LEU . 2.3 m-20 -113.29 -172.08 2.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.786 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.963 HG22 ' HB2' ' A' ' 22' ' ' ALA . 6.6 t -117.55 105.06 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.939 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 20.5 t80 -43.49 91.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' VAL . 87.1 p -101.68 36.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.684 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -137.72 -162.55 9.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.669 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -111.22 -23.16 5.88 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.8 p -115.49 89.01 20.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.789 ' HG2' ' CZ ' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.04 -49.7 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.457 1.767 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.64 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 148.24 -109.68 0.47 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.661 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -131.96 -40.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 0.812 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.669 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -64.51 137.7 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.789 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 18.4 mmt-85 -152.91 140.32 19.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.079 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -105.39 127.07 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.161 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.4 t -104.62 122.56 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.1 p90 -135.49 -160.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.853 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -135.9 -166.31 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.612 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 13.9 tt0 -89.03 6.34 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.115 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -96.95 -22.38 16.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.71 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.52 22.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.115 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.5 mt-30 -107.42 130.33 54.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.079 ' CD2' HG23 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -87.93 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.161 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -69.29 -45.07 70.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.758 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 175.77 -132.52 2.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.931 HG12 ' SG ' ' A' ' 103' ' ' CYS . 42.1 t -150.93 95.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 0.73 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.732 HD13 HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -87.26 170.22 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.722 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.13 147.29 12.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.163 . . . . 0.0 110.424 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.661 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 16.7 m170 -64.43 -1.17 1.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.577 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.514 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -80.95 169.86 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 33.96 40.84 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.793 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -116.23 150.54 37.37 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.573 0.808 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.859 ' N ' HD21 ' A' ' 99' ' ' ASN . 24.3 t -87.82 32.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.496 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 149.24 -130.96 3.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.6 t-20 -91.59 6.59 45.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.367 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.859 HD21 ' N ' ' A' ' 96' ' ' SER . 4.5 p30 -63.51 -163.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.674 ' CD1' HG13 ' A' ' 90' ' ' ILE . 41.0 m-85 -139.04 166.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.643 HG13 ' O ' ' A' ' 100' ' ' PHE . 35.0 m -161.22 131.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.2 OUTLIER -54.8 124.72 17.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 69.6 m -56.1 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.726 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -163.47 121.25 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 108.314 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.458 ' N ' ' HB3' ' A' ' 12' ' ' SER . 1.0 OUTLIER -137.84 -4.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.832 ' CG ' HG21 ' A' ' 89' ' ' VAL . 90.1 m-85 -134.68 92.59 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 9' ' ' ASN . 9.6 m -98.87 104.54 16.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.9 m -81.46 62.92 5.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.7 -54.27 1.66 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 26.3 p -132.05 51.28 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 0.811 . . . . 0.0 110.044 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.738 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.58 -175.25 4.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.726 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.97 59.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.267 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.728 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -124.74 100.24 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.953 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.458 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 65.0 p -64.63 -179.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -52.42 -17.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.84 -30.65 32.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.076 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.703 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.92 -40.67 18.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.095 HG11 ' CD1' ' A' ' 86' ' ' LEU . 71.4 t -53.26 -52.13 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.444 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 8.6 t -36.59 -54.08 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.15 -52.77 14.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.816 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.45 -42.23 91.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.668 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.4 mt-30 -60.35 -57.5 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.06 -36.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.051 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -70.13 -56.31 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.566 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.04 -42.67 87.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.65 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.1 t80 -64.92 -63.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.98 -60.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.065 . . . . 0.0 109.376 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.966 HD22 HG13 ' A' ' 33' ' ' VAL . 2.2 tp -58.1 -34.7 70.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 61.6 t60 -66.55 -51.98 50.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.588 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -57.11 -26.95 61.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.17 -17.0 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.69 23.37 72.84 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.49 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.2 mm-40 -97.91 175.91 5.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 0.798 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.897 ' HA ' HD21 ' A' ' 26' ' ' LEU . 67.4 p -127.33 177.72 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.966 HG13 HD22 ' A' ' 26' ' ' LEU . 2.7 m -137.58 150.49 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.374 1.046 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 61.71 -156.6 35.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.063 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m -97.27 32.2 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -127.42 -165.97 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.391 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.5 p -120.25 42.8 2.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.17 . . . . 0.0 110.02 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.63 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -95.1 150.6 37.92 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.868 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 -169.07 7.02 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.047 -0.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.531 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 21.5 p80 -177.94 168.92 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.519 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -48.1 169.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.715 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 26.3 t80 -154.43 13.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.3 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.777 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -51.9 168.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.777 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.37 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.17 -20.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.98 56.53 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 0.0 111.027 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.738 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.8 m-85 -101.41 132.63 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.26 70.13 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.85 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 17.3 m-30 -75.77 107.34 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.5 p -74.85 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.559 ' H ' ' C ' ' A' ' 50' ' ' PHE . 5.0 m -127.2 155.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.644 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.3 t -88.79 143.59 26.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.87 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -64.07 171.88 2.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.87 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 157.79 99.4 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.023 -0.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 22.6 m-30 -99.39 119.32 37.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.925 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -101.25 130.54 47.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -92.76 142.69 27.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.836 ' O ' ' N ' ' A' ' 78' ' ' VAL . 27.2 t-105 -161.39 141.14 7.88 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.173 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.11 148.97 35.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.816 HG13 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tt -118.43 116.24 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 68' ' ' TYR . 47.0 mt -81.88 122.03 27.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.2 p -57.62 -14.86 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.15 -18.48 46.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.04 12.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.16 -173.38 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.051 HG22 ' HB2' ' A' ' 22' ' ' ALA . 5.1 t -108.22 102.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.173 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -43.09 100.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.414 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 55.5 p -127.67 37.93 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -112.66 -65.19 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.91 17.29 6.93 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.738 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.4 m -141.68 45.86 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.738 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.792 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.883 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 23.87 93.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.857 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.71 -101.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.668 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.8 m-20 -71.01 129.37 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.883 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -151.33 133.4 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.974 ' CG1' HG13 ' A' ' 16' ' ' VAL . 4.2 m -107.32 122.95 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.958 ' O ' ' N ' ' A' ' 87' ' ' ALA . 75.5 t -96.09 136.17 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.925 ' O ' ' N ' ' A' ' 57' ' ' TYR . 8.6 p90 -147.17 -164.72 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.755 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.01 -171.71 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.689 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 22.8 tt0 -88.02 18.18 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.093 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -109.62 -23.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.714 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.33 23.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.093 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.1 mt-30 -106.5 133.55 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.095 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -84.47 132.5 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.19 -38.46 63.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.691 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 168.94 -144.45 8.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.978 HG12 ' SG ' ' A' ' 103' ' ' CYS . 84.5 t -143.28 91.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.738 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -86.36 165.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.857 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -159.19 146.24 17.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.632 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 12.7 m170 -65.09 -14.38 60.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -73.69 167.82 20.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 93' ' ' THR . . . 38.15 39.58 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.943 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -117.78 174.52 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 0.8 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.489 ' N ' ' ND2' ' A' ' 99' ' ' ASN . 10.8 t -105.17 45.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.703 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 129.34 -122.43 3.83 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 3.0 t-20 -93.98 3.89 54.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.943 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -63.24 -175.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 101' ' ' VAL . 42.0 m-85 -129.76 163.98 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.395 1.06 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 100' ' ' PHE . 28.6 m -162.57 133.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -52.55 125.41 16.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.238 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.31 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.2 m -56.12 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.51 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -35.28 130.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.318 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.487 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -131.45 -7.12 3.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.734 ' CB ' HG21 ' A' ' 89' ' ' VAL . 78.4 m-85 -133.99 77.1 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.19 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.496 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.2 m -87.76 104.56 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.0 m -81.5 63.82 5.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.579 1.175 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.27 -54.42 0.62 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 10.9 p -129.96 52.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 0.72 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.753 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.14 -174.97 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.11 60.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -129.21 96.17 4.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 110.954 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 43.5 p -61.43 179.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.487 ' HB3' HD21 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -51.65 -17.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.032 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.8 t -82.02 -30.07 31.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.683 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.51 -40.31 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.997 HG11 HD13 ' A' ' 86' ' ' LEU . 96.4 t -56.45 -48.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.509 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 8.4 t -37.45 -52.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.65 -53.7 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -57.57 -42.96 84.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.509 ' CD ' ' HA ' ' A' ' 17' ' ' SER . 11.1 mt-30 -57.61 -55.79 30.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.55 -34.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.034 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.35 -55.88 6.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.54 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.29 -43.08 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.591 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.0 t80 -65.12 -63.54 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 8.6 tptp -39.16 -62.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.943 HD22 HG13 ' A' ' 33' ' ' VAL . 2.5 tp -56.56 -37.2 70.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.6 t60 -63.55 -49.6 72.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.58 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -59.7 -26.58 65.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.75 -17.06 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.29 23.72 73.01 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.8 mm-40 -99.99 174.55 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.348 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.829 ' HA ' HD21 ' A' ' 26' ' ' LEU . 73.4 p -123.97 -178.42 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.943 HG13 HD22 ' A' ' 26' ' ' LEU . 2.2 m -140.68 133.55 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.433 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 77.1 -152.55 40.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -96.42 4.16 52.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 109.939 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.616 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.0 m-20 -98.89 -163.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 p -124.77 45.92 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.949 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.616 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -97.71 148.33 34.29 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.84 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -171.59 9.61 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.046 -2.481 . . . . 0.0 111.013 0.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.636 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 -177.24 156.54 1.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.632 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -40.97 155.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.343 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.716 ' CE2' HD12 ' A' ' 90' ' ' ILE . 1.3 t80 -149.67 -37.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.827 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 57.55 -98.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.3 p-10 152.24 175.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.34 -48.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.641 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.8 mm-40 -44.99 -18.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.497 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.58 55.59 0.45 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.48 1.113 . . . . 0.0 111.096 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.969 ' CE1' HG22 ' A' ' 90' ' ' ILE . 90.5 m-85 -99.27 135.17 41.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 0.731 . . . . 0.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.13 63.9 2.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.832 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 13.6 m-30 -66.49 98.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -72.02 27.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.976 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.611 ' H ' ' C ' ' A' ' 50' ' ' PHE . 13.5 m -124.84 157.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.615 1.197 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.701 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.0 m -88.2 143.83 26.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.836 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -66.4 171.09 4.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.836 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.99 157.12 99.81 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.005 0.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.65 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.6 m-85 -98.88 115.99 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.919 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.4 m-30 -98.71 131.82 44.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.699 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 3.2 pt-20 -95.51 138.51 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.83 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 24.9 t-105 -154.66 145.42 16.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 108.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.2 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 149.02 36.09 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.596 HG13 ' HB2' ' A' ' 19' ' ' ALA . 5.1 tt -116.69 121.83 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 66' ' ' ASP . 56.9 mt -89.41 122.69 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -6.83 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.69 -17.03 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.23 36.88 10.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.616 ' HB2' HD13 ' A' ' 62' ' ' LEU . 2.1 m-20 -110.66 -169.51 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.034 HG22 ' HB2' ' A' ' 22' ' ' ALA . 8.6 t -114.18 105.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.2 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.8 t80 -46.45 102.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.407 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 59.9 p -116.04 44.06 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 1.056 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -155.15 129.41 2.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.459 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . -50.7 -8.07 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.55 ' H ' ' C ' ' A' ' 70' ' ' GLY . 87.7 p -114.0 82.32 6.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.805 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.753 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.699 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 145.6 -108.5 0.47 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.569 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -131.48 -44.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.67 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 19.8 m-20 -62.47 132.71 53.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.717 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 12.1 mmt-85 -150.28 145.25 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -115.75 136.33 52.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.949 ' O ' ' N ' ' A' ' 87' ' ' ALA . 71.4 t -111.73 136.1 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.919 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.9 p90 -145.91 -162.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.789 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -136.1 -171.77 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.672 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 14.9 tt0 -87.68 17.17 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.105 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -108.67 -22.82 12.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.706 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.92 24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.105 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.2 mt-30 -106.95 133.6 51.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.997 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.08 131.78 34.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.949 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.46 -42.05 65.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.62 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 172.03 -143.17 7.31 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' SG ' ' A' ' 103' ' ' CYS . 88.0 t -144.64 91.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.969 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -87.07 166.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.274 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.629 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -163.05 153.45 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.645 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.7 m170 -76.31 13.37 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -48.12 88.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.355 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.39 41.51 0.1 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.685 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -59.52 -11.62 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.5 t 98.08 46.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.051 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.435 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 122.67 -130.04 7.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.85 4.76 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.685 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -67.56 162.47 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.739 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.0 m-85 -114.99 168.37 9.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.1 m -162.72 133.56 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -58.51 124.83 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.7 m -55.51 -164.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.103 . . . . 0.0 108.298 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.449 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.492 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -35.76 128.17 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 108.285 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' N ' ' HB2' ' A' ' 12' ' ' SER . 11.1 m-20 -129.38 -7.69 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.857 ' CG ' HG21 ' A' ' 89' ' ' VAL . 84.3 m-85 -133.93 88.04 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.47 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 6.1 m -95.86 105.74 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 30.1 m -82.36 61.8 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.73 -55.71 1.7 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 23.0 p -130.8 52.16 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.747 . . . . 0.0 110.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.714 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.94 -174.5 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.07 61.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.745 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.05 98.19 5.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' A' ' 13' ' ' SER . 1.2 t -63.59 179.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.502 ' N ' ' OG ' ' A' ' 12' ' ' SER . 1.6 p -50.84 -17.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -81.29 -30.46 33.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.725 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.01 -41.88 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.961 HG13 ' CG1' ' A' ' 78' ' ' VAL . 49.2 t -49.37 -49.68 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 t -40.66 -51.2 3.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.1 m -46.66 -58.48 3.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.838 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -55.81 -43.84 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.572 ' OE1' ' HB2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -58.38 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.9 -35.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.76 -53.45 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.383 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.588 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -57.3 -41.66 93.13 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.66 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 9.9 t80 -66.45 -67.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 56.0 tptt -43.07 -51.65 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.945 HD11 ' C ' ' A' ' 31' ' ' GLU . 11.8 tp -63.83 -35.17 79.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.859 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 48.8 t60 -65.84 -45.64 81.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.572 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.601 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.41 -23.8 66.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 13.4 m-20 -83.42 -23.09 32.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.22 22.46 68.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.945 ' C ' HD11 ' A' ' 26' ' ' LEU . 20.5 mm-40 -100.2 -179.24 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.57 ' N ' HD11 ' A' ' 26' ' ' LEU . 70.3 p -135.29 -179.65 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.877 HG13 ' CD2' ' A' ' 26' ' ' LEU . 4.4 m -136.38 137.05 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.476 ' HA3' ' O ' ' A' ' 70' ' ' GLY . . . 70.58 -152.55 50.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.573 1.17 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -97.95 23.67 7.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.622 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -114.72 -166.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . 7.1 p -122.71 40.69 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -94.64 145.81 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.588 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.3 Cg_endo -75.09 -172.09 10.32 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.033 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.495 ' CE1' ' OE2' ' A' ' 58' ' ' GLU . 32.4 p80 178.98 167.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.575 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 17.1 tptm -45.47 161.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.707 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 29.5 t80 -146.13 11.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.704 ' C ' ' O ' ' A' ' 42' ' ' TYR . 6.0 m-80 -7.3 86.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.769 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -53.14 171.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.769 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.73 -42.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -44.23 -20.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.57 56.08 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.774 ' CE1' HG22 ' A' ' 90' ' ' ILE . 83.9 m-85 -100.8 132.55 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.59 70.89 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.885 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 18.3 m-30 -76.84 106.5 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.6 p -74.6 27.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.958 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG11 ' O ' ' A' ' 86' ' ' LEU . 6.5 m -126.58 157.29 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.698 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 7.5 t -89.34 146.52 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.866 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -69.49 171.63 6.64 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.866 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.02 157.01 99.86 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.976 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.733 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.3 m-85 -98.87 126.65 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.859 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.2 m-30 -106.89 124.67 49.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 13.8 pt-20 -91.93 137.94 31.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.845 ' O ' ' N ' ' A' ' 78' ' ' VAL . 26.3 t-105 -155.77 144.71 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.032 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.023 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 145.8 31.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.838 HG13 ' HB2' ' A' ' 19' ' ' ALA . 2.4 tt -116.41 113.87 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 68' ' ' TYR . 65.4 mt -82.6 119.39 24.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -15.17 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.973 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -80.44 -19.38 46.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.1 33.93 11.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.45 -173.71 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 16.4 t -112.02 104.71 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.023 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 2.5 t80 -42.54 95.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.475 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.5 p -97.54 3.12 50.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.655 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -96.32 -158.81 31.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.761 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -145.5 28.54 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.66 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 60.2 p -147.01 50.98 1.04 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 110.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.66 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.05 -42.07 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.95 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 8.08 99.64 0.0 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.841 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 157.24 -70.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.228 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.729 ' HB3' HG23 ' A' ' 61' ' ' ILE . 56.8 m-20 -114.58 131.8 56.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.95 HH12 ' N ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -151.42 140.82 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.961 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.1 m -113.39 123.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.366 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.913 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.7 t -96.08 134.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.849 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.4 p90 -147.25 -159.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.771 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -139.41 -172.41 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.684 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 6.6 tt0 -86.06 10.77 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.093 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.02 -23.62 14.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.703 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.92 23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.093 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.8 mt-30 -104.99 133.83 49.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.028 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -85.16 131.74 34.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.913 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.32 -43.33 57.14 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 175.28 -138.74 4.41 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.975 HG12 ' SG ' ' A' ' 103' ' ' CYS . 92.5 t -148.92 89.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.307 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.774 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.83 165.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.841 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 1.1 t -163.27 166.75 22.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.638 ' NE2' ' CE1' ' A' ' 100' ' ' PHE . 14.0 m-70 -92.11 -25.53 18.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.652 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -17.42 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.798 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -120.04 31.23 5.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.966 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -132.97 133.32 43.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.508 ' N ' HD21 ' A' ' 99' ' ' ASN . 29.5 t -86.99 30.39 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.36 -132.66 2.13 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.0 t-20 -94.66 -4.41 47.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.966 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 2.9 p30 -64.82 173.02 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.647 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 27.2 m-85 -124.51 166.81 15.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.798 HG21 ' O ' ' A' ' 94' ' ' GLY . 21.0 m -161.78 135.15 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -54.11 126.67 23.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.27 -163.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.329 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.661 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -109.65 60.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 108.353 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.422 ' OD1' ' HA ' ' A' ' 12' ' ' SER . 6.8 m-20 -39.58 -29.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.076 ' CE2' HG21 ' A' ' 16' ' ' VAL . 76.6 m-85 -139.85 112.46 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.704 HG23 ' H ' ' A' ' 9' ' ' ASN . 2.2 m -121.49 106.19 11.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 22.8 m -80.29 68.03 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.63 -48.78 3.94 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.6 p -158.48 49.91 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.776 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.97 -166.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.8 t -171.65 77.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.898 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.1 m-85 -91.09 51.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.794 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -28.51 152.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.003 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.8 p -39.01 -23.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.8 t -80.36 -26.37 38.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.948 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -81.79 -22.17 37.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.076 HG21 ' CE2' ' A' ' 4' ' ' TYR . 13.1 t -74.18 -71.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 23.1 t -40.82 -53.55 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.87 -49.32 20.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.898 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -61.54 -44.5 96.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.019 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.3 mt-30 -61.87 -57.61 11.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.03 -41.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.999 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.58 -56.74 5.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.616 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.39 -43.05 65.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.637 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 2.8 t80 -67.06 -69.13 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -42.92 -54.29 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.011 HD21 HG13 ' A' ' 33' ' ' VAL . 58.3 tp -61.4 -33.25 73.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.852 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 38.5 t60 -68.88 -50.76 46.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.569 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -56.73 -25.41 54.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -85.5 -19.72 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.19 23.72 77.0 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HB2' HD12 ' A' ' 26' ' ' LEU . 44.7 mm-40 -98.42 175.32 6.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.466 0.744 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 80.3 p -128.76 179.37 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.011 HG13 HD21 ' A' ' 26' ' ' LEU . 5.0 m -136.11 128.76 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.53 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.14 -145.7 29.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.1 p -96.25 -14.67 22.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 110.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.575 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 3.1 m-20 -76.36 -165.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 5.3 p -125.9 42.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.59 144.59 28.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.814 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.93 -173.59 12.55 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.049 -2.48 . . . . 0.0 111.003 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.487 ' NE2' ' CD ' ' A' ' 58' ' ' GLU . 31.7 p80 179.12 154.72 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.467 1.104 . . . . 0.0 109.539 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' HIS . 7.7 ttpt -40.53 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.743 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -154.92 -28.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.819 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 49.35 -98.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.819 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.2 p-10 153.86 173.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.99 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.617 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.1 mp0 -45.61 -18.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.66 55.75 0.45 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.844 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.0 m-85 -99.67 132.51 44.96 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 0.744 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.25 61.76 3.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.847 ' CD1' ' HB1' ' A' ' 87' ' ' ALA . 13.9 m-30 -65.15 100.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.22 22.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.631 HG23 ' HE1' ' A' ' 56' ' ' TYR . 16.1 m -122.74 161.91 23.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.025 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 64.8 m -83.6 175.79 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.878 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -102.69 172.27 4.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.878 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -75.0 158.88 98.73 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.972 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -96.87 123.17 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.861 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.5 m-30 -103.33 136.75 42.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -101.96 140.63 35.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.055 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 46.4 t-105 -155.58 148.41 18.05 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.055 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.11 150.75 38.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.032 ' HB ' HG12 ' A' ' 78' ' ' VAL . 10.1 tt -114.58 131.37 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.735 HD23 ' CE2' ' A' ' 68' ' ' TYR . 46.1 mt -96.52 122.53 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.8 t -68.29 7.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -109.64 -8.66 14.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 39.67 23.95 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.566 ' HB2' HD13 ' A' ' 62' ' ' LEU . 8.7 m-20 -120.68 -162.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.999 HG22 ' HB2' ' A' ' 22' ' ' ALA . 15.4 t -119.31 122.19 68.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.826 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -76.03 113.91 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.904 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 51.9 p -135.0 57.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 72' ' ' SER . . . -139.07 -5.15 1.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.53 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 78.27 -19.87 4.37 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 70' ' ' GLY . 3.8 m -114.42 78.7 4.9 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.826 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.95 -54.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.629 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.69 -107.02 0.44 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.58 1.175 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.815 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -128.2 -42.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 0.719 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.686 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.1 133.94 56.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.824 ' CZ ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 mmt-85 -152.0 142.25 22.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.054 HG23 HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -109.66 126.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.029 ' O ' ' N ' ' A' ' 87' ' ' ALA . 60.3 t -103.59 137.44 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.861 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -146.33 -158.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.025 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.15 -168.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.611 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 11.0 tt0 -89.64 15.25 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.085 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -105.93 -22.64 12.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.38 21.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.085 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.0 mt-30 -108.62 132.41 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.058 ' CD1' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -89.31 136.32 33.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.365 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.029 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -68.22 -44.37 75.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.653 ' O ' HD11 ' A' ' 86' ' ' LEU . . . 174.25 -132.93 2.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.913 HG12 ' SG ' ' A' ' 103' ' ' CYS . 44.7 t -149.97 93.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.844 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -86.05 171.06 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.698 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -165.21 151.14 9.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.815 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 8.2 m170 -79.43 12.93 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 95' ' ' ALA . 1.4 m -48.23 84.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 33.72 35.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.718 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -51.45 -36.81 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.748 ' N ' HD21 ' A' ' 99' ' ' ASN . 13.3 t 136.84 39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 117.2 -117.95 3.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.6 t-20 -95.25 -9.67 32.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.748 HD21 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.03 150.84 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.769 ' CD1' HG13 ' A' ' 90' ' ' ILE . 21.3 m-85 -105.36 171.62 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.0 m -163.36 132.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -59.11 125.75 24.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.401 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 85.4 m -55.89 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 0.0 108.26 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.392 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.658 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -105.57 59.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 108.256 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -28.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.144 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.9 m-85 -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.57 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.0 m -118.39 102.45 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 25.3 m -78.78 66.22 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 108.335 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 -48.71 3.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -158.93 48.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.801 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.36 -167.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.658 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.6 t -171.87 76.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.894 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 15.9 m-85 -90.85 48.48 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.824 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -25.31 149.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 15.0 p -38.48 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.561 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.0 t -82.03 -24.73 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.894 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -81.86 -26.79 33.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.144 HG21 ' CE2' ' A' ' 4' ' ' TYR . 96.6 t -77.42 -69.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' VAL . 45.7 t -36.57 -51.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -48.7 64.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -63.28 -43.19 98.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.015 ' OE1' HG12 ' A' ' 16' ' ' VAL . 14.7 mt-30 -59.43 -56.69 18.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.54 -39.92 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.055 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -66.05 -57.06 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.56 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -54.62 -42.6 77.56 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.661 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.2 t80 -65.53 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.5 tptm -39.69 -59.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.99 HD22 HG13 ' A' ' 33' ' ' VAL . 2.7 tp -59.67 -33.74 71.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 51.6 t60 -67.44 -50.72 58.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.601 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.81 -26.1 63.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -18.91 25.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.11 66.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' HB2' HD12 ' A' ' 26' ' ' LEU . 7.2 mm-40 -97.47 175.63 6.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.237 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.866 ' HA ' HD21 ' A' ' 26' ' ' LEU . 64.4 p -127.04 177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.99 HG13 HD22 ' A' ' 26' ' ' LEU . 2.5 m -139.59 134.74 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 78.87 -151.07 35.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 p -96.15 -6.51 38.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 0.763 . . . . 0.0 109.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.614 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -89.99 -163.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.2 p -124.16 46.49 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -95.19 147.53 33.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.876 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.98 -168.21 6.29 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.016 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.62 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.2 p80 179.93 163.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 15.8 ttpp -50.61 152.2 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.787 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -147.09 -32.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.848 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.5 m-80 51.96 -96.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.848 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.8 p-10 153.03 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.361 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.792 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.44 -47.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.634 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 49.7 mt-10 -45.87 -19.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.09 55.33 0.41 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.557 1.161 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.897 ' CE1' HG22 ' A' ' 90' ' ' ILE . 95.7 m-85 -98.63 136.23 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.97 67.87 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.744 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.0 m-30 -73.52 97.84 2.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -73.14 29.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.74 HG23 ' HE1' ' A' ' 56' ' ' TYR . 16.5 m -127.14 159.53 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.651 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 15.7 t -87.54 144.09 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.949 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.868 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -68.85 172.0 5.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.05 159.17 98.35 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.946 0.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.74 ' HE1' HG23 ' A' ' 52' ' ' VAL . 20.3 m-85 -100.8 116.47 32.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.942 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.8 m-30 -98.6 137.45 37.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.62 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.9 pp20? -102.7 135.71 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.02 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 33.1 t-105 -149.02 148.07 25.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 107.96 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.02 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.609 HD11 ' HB3' ' A' ' 11' ' ' TYR . 15.6 tt -120.09 129.97 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.807 HD23 ' CE2' ' A' ' 68' ' ' TYR . 73.5 mt -95.59 123.22 39.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.5 m -64.7 -0.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -103.03 -8.37 20.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.79 40.62 30.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.474 ' C ' HD12 ' A' ' 62' ' ' LEU . 5.4 m-20 -121.41 -166.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.055 HG22 ' HB2' ' A' ' 22' ' ' ALA . 24.0 t -108.48 123.29 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.807 ' CE2' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -74.06 137.29 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.469 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 66.9 p -156.5 63.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.057 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.506 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . -138.49 -58.66 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.666 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 131.2 -20.15 4.77 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 38.3 t -120.02 61.49 7.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.766 ' HA ' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.99 48.52 2.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.773 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.98 -110.77 3.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.761 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -140.91 -30.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.643 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -62.17 126.83 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.643 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 2.1 mmt-85 -148.6 145.2 27.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.797 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -104.82 138.1 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.9 t -112.42 137.73 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.942 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.7 p90 -147.96 -163.93 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.696 ' ND2' ' HB2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -134.53 -172.68 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.661 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 8.9 tp10 -87.27 14.74 7.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.721 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -105.86 -23.96 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.93 24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.696 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 50.1 mt-30 -105.95 134.65 48.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.126 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -87.71 130.6 34.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.8 -35.25 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 159.22 -139.26 6.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' SG ' ' A' ' 103' ' ' CYS . 37.8 t -147.73 98.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.897 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -84.2 162.58 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.76 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -165.86 162.74 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.761 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 12.2 m170 -92.63 -5.63 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.83 -20.71 65.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.684 ' C ' HG21 ' A' ' 101' ' ' VAL . . . -132.2 38.07 1.95 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.865 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -127.65 -45.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.4 t 74.73 54.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.498 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.4 -134.98 5.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 98' ' ' ASN . 0.3 OUTLIER -92.79 -11.24 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 0.809 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.865 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -63.61 160.44 16.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.4 m-85 -121.87 165.3 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 100' ' ' PHE . 30.2 m -163.78 134.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -57.21 121.66 10.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.449 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.5 m -54.32 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -164.64 77.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 108.309 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' HB2' ' OG ' ' A' ' 12' ' ' SER . 7.3 m-20 -65.16 -19.16 65.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.232 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.755 ' CG ' HG21 ' A' ' 89' ' ' VAL . 87.8 m-85 -122.85 145.54 48.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER -153.06 105.63 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.445 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.197 ' CB ' ' SG ' ' A' ' 103' ' ' CYS . 21.2 m -81.61 61.93 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.302 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 -55.37 1.03 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.585 1.178 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.475 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 23.4 p -128.2 53.29 1.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 0.765 . . . . 0.0 109.947 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.695 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.24 -175.13 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.24 66.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 108.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.707 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.91 100.03 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -61.98 -177.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.9 p -55.14 -15.81 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.6 t -82.48 -31.26 29.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.67 -37.79 24.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.039 HG11 HD12 ' A' ' 86' ' ' LEU . 67.9 t -58.29 -54.03 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.45 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -36.59 -53.71 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -45.35 -51.5 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.59 -42.26 98.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 10.0 mt-30 -58.48 -57.46 12.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.42 -35.6 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.036 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.2 -56.69 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.616 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.91 -43.29 87.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.675 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.4 t80 -64.03 -62.88 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HA ' ' OE2' ' A' ' 28' ' ' GLU . 29.0 tptp -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.954 HD22 HG13 ' A' ' 33' ' ' VAL . 3.4 tp -57.72 -34.02 69.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.841 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 64.9 t60 -66.62 -51.97 50.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.573 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -55.68 -27.79 52.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 110.291 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.62 -16.15 33.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.78 23.43 74.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.413 1.071 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.92 175.31 5.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.951 ' HA ' HD21 ' A' ' 26' ' ' LEU . 72.4 p -129.61 173.14 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.646 1.216 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.954 HG13 HD22 ' A' ' 26' ' ' LEU . 2.0 m -128.6 132.6 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.8 -152.86 39.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.9 m -94.01 -12.45 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.617 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -80.24 -162.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 90.6 p -126.13 47.94 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.947 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.617 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -100.55 143.66 26.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.864 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.96 -169.97 7.82 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.007 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.583 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 35.1 p80 -177.88 162.01 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.614 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.54 151.56 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.743 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.7 t80 -143.89 -38.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.84 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 1.4 m-80 59.41 -100.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.84 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.5 p-10 153.04 178.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 168.26 -46.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 111.068 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.601 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 9.3 mm-40 -47.29 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.87 53.63 0.48 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 90' ' ' ILE . 91.8 m-85 -97.29 135.17 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 68.5 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.785 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -74.63 94.23 2.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.1 p -69.98 31.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.645 HG23 ' HE1' ' A' ' 56' ' ' TYR . 12.6 m -129.28 159.48 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.66 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 24.6 m -87.64 146.41 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.864 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -70.29 171.76 7.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.864 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.95 158.86 98.73 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.996 0.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.0 m-85 -100.16 116.94 33.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.898 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.7 m-30 -98.98 134.87 41.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.629 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.2 pt-20 -103.22 129.06 50.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.111 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 13.3 t-105 -142.79 151.78 57.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.111 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 150.26 37.99 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.567 1.825 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.664 ' HB ' HG13 ' A' ' 78' ' ' VAL . 2.6 tt -119.88 123.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 68' ' ' TYR . 96.0 mt -90.73 124.57 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -16.68 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -86.76 -19.93 28.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.05 31.99 18.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.17 -173.29 2.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.036 HG22 ' HB2' ' A' ' 22' ' ' ALA . 51.3 t -102.1 109.55 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.704 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 35.6 t80 -47.51 172.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.686 ' O ' ' N ' ' A' ' 34' ' ' GLY . 69.3 p -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.679 ' HA3' ' O ' ' A' ' 33' ' ' VAL . . . 131.06 149.33 6.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.519 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 110.56 -103.85 1.7 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.55 ' C ' ' OH ' ' A' ' 68' ' ' TYR . 52.3 p -112.6 81.34 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.787 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -74.99 51.79 2.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.67 -91.43 0.17 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.762 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -159.76 -38.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.728 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 9.8 m-20 -59.8 132.6 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.065 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.728 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 3.3 mmt-85 -152.17 147.0 25.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.937 ' CG1' HG13 ' A' ' 16' ' ' VAL . 3.4 m -115.89 134.94 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.887 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.0 t -109.61 138.83 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.898 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -148.76 -159.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.74 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -138.11 -171.91 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.675 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 7.8 tt0 -86.97 11.21 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.105 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.68 -24.09 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.715 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.03 23.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.105 HE21 ' ND2' ' A' ' 83' ' ' ASN . 34.3 mt-30 -104.96 134.68 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.075 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -84.69 132.77 34.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.21 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.887 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.88 -43.39 54.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 89' ' ' VAL . . . 172.26 -130.95 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.8 ' O ' ' N ' ' A' ' 103' ' ' CYS . 57.3 t -153.66 94.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.8 pt -89.89 167.93 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.762 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.3 150.98 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.425 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.634 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.0 m-70 -75.69 13.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.604 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -48.57 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.16 42.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.708 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -58.59 -11.58 3.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 0.82 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.7 t 98.68 46.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.463 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 121.81 -131.82 8.66 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.6 t-20 -95.1 11.72 31.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.708 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -75.07 164.29 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.785 ' O ' HG13 ' A' ' 101' ' ' VAL . 26.8 m-85 -116.92 166.97 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.785 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.7 m -163.98 138.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -50.15 129.31 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.197 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 12.3 m -53.63 -24.29 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 5' ' ' THR . 10.0 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.423 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.587 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -111.21 62.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 2' ' ' CYS . 70.5 m-20 -39.35 -29.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.094 ' CE2' HG21 ' A' ' 16' ' ' VAL . 75.3 m-85 -138.98 112.85 8.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 104' ' ' THR . 0.9 OUTLIER -121.2 109.29 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 0.0 110.42 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.6 m -82.63 63.04 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.63 -45.17 3.32 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.456 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -160.13 48.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 110.011 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.766 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -122.81 -165.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.587 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 46.7 t -173.06 78.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.898 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.9 51.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.396 1.06 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -28.13 152.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 p -38.92 -23.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.962 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -80.9 -26.17 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -81.8 -23.4 36.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.094 HG21 ' CE2' ' A' ' 4' ' ' TYR . 22.3 t -72.61 -70.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.419 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 5.2 t -39.55 -53.13 2.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.91 -49.22 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.789 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -60.53 -44.19 96.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.748 ' OE1' HG12 ' A' ' 16' ' ' VAL . 13.7 mt-30 -58.92 -56.5 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.46 -39.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.089 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.81 -55.61 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.531 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -55.03 -41.6 78.15 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.698 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.6 t80 -69.96 -66.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.568 0.805 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.4 tptp -43.48 -55.67 4.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.943 ' CD2' HG13 ' A' ' 33' ' ' VAL . 12.7 tp -60.5 -34.47 74.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.858 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 40.9 t60 -66.65 -47.33 72.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.606 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -63.77 -24.54 67.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-20 -85.09 -23.81 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.74 23.11 70.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.932 ' C ' HD11 ' A' ' 26' ' ' LEU . 22.9 mm-40 -97.74 176.16 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 78.5 p -130.05 174.68 9.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.943 HG13 ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -137.07 133.61 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 78.89 -150.19 33.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.5 p -96.77 -5.16 39.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 0.736 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.604 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.3 m-20 -87.76 -164.33 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . 22.1 p -124.05 43.43 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.05 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.5 m-85 -94.27 145.64 30.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.625 1.203 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.595 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -172.95 11.48 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.975 0.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.2 p80 176.76 162.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.657 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 2.0 tttp -43.38 165.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.758 ' CE2' HD12 ' A' ' 90' ' ' ILE . 32.7 t80 -151.93 13.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -9.01 87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -48.38 160.93 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -171.57 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.812 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 24.2 mt-10 -44.44 -20.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.175 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.88 54.85 0.39 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.711 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 87.4 m-85 -98.53 135.67 39.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.732 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.24 68.43 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.893 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.5 m-30 -75.96 106.72 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -76.4 25.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.649 HG23 ' CE1' ' A' ' 56' ' ' TYR . 15.4 m -125.01 156.65 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.74 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.6 t -88.03 148.24 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.879 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -73.06 172.84 7.01 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.879 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.99 158.12 99.2 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.99 -0.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.689 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 20.2 m-85 -98.8 130.39 45.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.915 ' N ' ' O ' ' A' ' 80' ' ' PHE . 11.3 m-30 -110.29 121.16 44.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.622 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.23 132.1 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.129 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 31.0 t-105 -147.89 150.18 35.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.129 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 148.83 35.78 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.54 1.811 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 19' ' ' ALA . 11.9 tt -113.28 120.3 62.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 68' ' ' TYR . 62.0 mt -85.97 127.85 34.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -67.6 2.94 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -107.61 -11.17 15.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.18 41.41 17.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.534 ' C ' HD12 ' A' ' 62' ' ' LEU . 4.3 m-20 -126.56 -174.11 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.783 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.089 HG22 ' HB2' ' A' ' 22' ' ' ALA . 61.9 t -96.3 122.76 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.703 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 63.1 t80 -69.63 167.59 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.635 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 53.8 p -164.4 71.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.481 ' CA ' ' HA3' ' A' ' 34' ' ' GLY . . . -174.61 -154.91 11.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.672 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . -120.53 -23.21 2.9 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.577 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 8.4 p -112.63 70.01 1.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.846 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.1 Cg_endo -75.0 52.37 3.04 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.756 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 62.17 2.48 4.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 74' ' ' GLY . . . 93.39 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.69 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -61.03 135.57 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.607 1.192 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.796 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 2.9 mmt-85 -150.27 138.34 20.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.073 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -105.12 126.13 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.114 ' O ' ' N ' ' A' ' 87' ' ' ALA . 72.3 t -102.87 124.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.915 ' O ' ' N ' ' A' ' 57' ' ' TYR . 9.2 p90 -137.97 -161.45 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.763 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -134.54 -169.79 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.698 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 14.7 tt0 -88.19 13.29 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.763 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -104.13 -24.44 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.96 22.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.676 HE21 ' ND2' ' A' ' 83' ' ' ASN . 49.1 mt-30 -106.9 131.75 53.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.074 HD22 ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -89.52 135.44 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.114 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.5 -43.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.762 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 175.57 -129.51 1.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.805 HG12 ' SG ' ' A' ' 103' ' ' CYS . 54.7 t -157.17 92.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.831 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -88.27 176.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.368 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.608 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.65 146.29 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.701 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 9.8 m-70 -72.46 10.84 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.657 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.17 86.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.53 37.74 0.03 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.717 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . . . -50.94 -36.08 36.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.713 ' N ' HD21 ' A' ' 99' ' ' ASN . 13.0 t 137.17 40.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.72 -118.68 4.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.5 t-20 -95.03 -8.16 37.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.717 ' ND2' ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -61.43 168.87 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.831 ' CD1' HG13 ' A' ' 90' ' ' ILE . 32.6 m-85 -120.64 172.23 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.062 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 100' ' ' PHE . 23.4 m -164.59 134.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.4 mt-10 -50.03 131.69 23.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.07 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 13.5 m -53.83 -28.95 38.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 5' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.494 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -36.28 129.0 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.487 ' N ' ' HB2' ' A' ' 12' ' ' SER . 0.5 OUTLIER -129.38 -7.73 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.824 ' CG ' HG21 ' A' ' 89' ' ' VAL . 81.7 m-85 -133.92 84.07 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.483 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.3 m -93.22 104.43 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.3 m -81.28 63.11 5.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.384 1.053 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.36 -53.59 0.86 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.451 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 22.5 p -131.53 51.32 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.755 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -141.37 -175.62 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -176.64 61.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.325 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.741 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.23 97.01 4.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.487 ' HB2' ' N ' ' A' ' 3' ' ' ASP . 3.2 t -64.69 179.54 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.477 ' N ' ' OG ' ' A' ' 12' ' ' SER . 5.3 p -51.09 -17.34 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.5 t -81.96 -29.87 31.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.679 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.48 -42.92 17.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.95 HG11 ' HG ' ' A' ' 86' ' ' LEU . 72.7 t -52.13 -51.4 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 12.2 t -35.35 -55.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.03 -50.62 35.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 110.398 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -62.58 -41.65 99.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.695 ' OE1' HG12 ' A' ' 16' ' ' VAL . 8.9 mt-30 -60.06 -55.96 27.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -37.33 -34.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.978 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.25 -55.78 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.626 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -56.24 -42.13 87.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.638 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 6.5 t80 -67.48 -61.8 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.417 0.716 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.0 tptp -38.83 -60.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.015 HD22 HG13 ' A' ' 33' ' ' VAL . 2.2 tp -59.82 -32.86 71.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.823 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 49.9 t60 -67.61 -53.08 31.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 109.576 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -55.62 -27.18 48.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.15 -17.24 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.97 73.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.127 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -98.33 175.57 6.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.984 ' HA ' HD21 ' A' ' 26' ' ' LEU . 24.3 p -129.43 171.89 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.015 HG13 HD22 ' A' ' 26' ' ' LEU . 2.3 m -125.6 134.3 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.66 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 75.65 -154.9 46.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 -14.97 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.94 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.692 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.3 m-20 -78.79 -158.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 30.8 p -128.88 52.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.692 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.6 m-85 -104.56 142.88 25.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.84 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.92 -167.0 5.27 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.037 -0.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.6 p80 -179.34 163.91 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.6 155.24 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.717 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 1.3 t80 -148.85 -34.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.839 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 54.09 -96.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.839 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.0 p-10 153.39 170.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.802 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 177.54 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.65 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.5 mt-10 -46.19 -18.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.474 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.19 54.99 0.44 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.903 ' CE1' HG22 ' A' ' 90' ' ' ILE . 88.2 m-85 -101.5 134.64 44.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.26 66.52 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -70.1 94.97 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -72.13 29.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.857 HG23 ' CE1' ' A' ' 56' ' ' TYR . 20.8 m -121.66 160.27 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.663 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.9 t -89.6 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.833 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -64.71 170.22 4.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.075 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.833 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -74.95 159.04 98.58 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.975 -2.511 . . . . 0.0 111.018 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.857 ' CE1' HG23 ' A' ' 52' ' ' VAL . 19.7 m-85 -99.95 117.14 33.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.918 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -98.73 131.44 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.643 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 11.9 pt-20 -101.64 130.21 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.935 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.5 t-105 -140.71 145.82 41.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.991 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.935 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 139.01 23.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.651 HG23 ' HB3' ' A' ' 76' ' ' ASP . 5.8 tt -112.55 113.51 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.85 HD21 ' HD1' ' A' ' 68' ' ' TYR . 54.6 mt -82.81 124.99 30.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -53.88 -21.4 7.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -15.77 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.18 34.5 29.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.59 -178.17 3.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.978 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.1 t -102.38 103.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.85 ' HD1' HD21 ' A' ' 62' ' ' LEU . 36.8 t80 -42.32 144.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 60.2 p -98.22 27.23 4.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.74 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 67.74 158.38 1.03 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.504 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 135.11 -127.94 4.56 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -117.7 73.44 8.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.817 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.98 5.09 4.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.773 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -32.41 112.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.23 -56.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.651 ' HB3' HG23 ' A' ' 61' ' ' ILE . 66.9 m-20 -130.71 121.88 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.603 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 1.8 mmm-85 -148.05 139.21 23.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.915 ' CG1' HG13 ' A' ' 16' ' ' VAL . 2.4 m -110.27 131.2 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.934 ' O ' HD22 ' A' ' 86' ' ' LEU . 76.1 t -105.54 136.88 37.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -148.21 -165.42 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.874 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.48 -168.63 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.638 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 6.6 tp10 -89.09 27.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.104 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -112.67 -27.18 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.359 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.12 22.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.104 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.0 mt-30 -98.68 -173.52 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.95 ' HG ' HG11 ' A' ' 16' ' ' VAL . 1.2 tm? -132.93 128.25 36.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.901 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.97 -36.43 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.191 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.918 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 166.21 -142.13 7.44 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.961 HG12 ' SG ' ' A' ' 103' ' ' CYS . 83.2 t -147.49 89.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.903 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -83.68 165.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.714 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.63 153.73 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.379 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.639 ' NE2' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m-70 -78.83 -6.3 55.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -34.19 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.22 37.56 0.49 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -58.69 -15.45 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.62 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.1 t 96.94 41.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.47 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 123.63 -130.75 7.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.2 t-20 -95.19 5.46 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.61 ' ND2' ' H ' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -70.48 158.95 35.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 101' ' ' VAL . 17.1 m-85 -112.52 164.85 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 100' ' ' PHE . 33.8 m -161.64 134.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.364 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -56.52 124.49 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.189 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.5 m -54.91 -167.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.545 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -160.4 131.88 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 108.258 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.582 ' N ' ' OG ' ' A' ' 12' ' ' SER . 2.3 m-20 -129.72 -9.03 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.758 ' CG ' HG21 ' A' ' 89' ' ' VAL . 85.7 m-85 -132.07 72.05 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.468 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.7 m -83.11 103.71 12.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 16.8 m -80.88 61.26 4.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.324 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 -55.63 0.79 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 28.5 p -127.32 49.81 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 110.065 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.732 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -141.93 -175.78 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 1.5 t -176.95 61.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.752 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.5 97.85 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.062 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 3.7 m -61.16 179.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.949 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -16.87 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 t -82.63 -29.93 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.026 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.667 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -83.73 -40.12 19.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.699 HG11 ' HG ' ' A' ' 86' ' ' LEU . 96.9 t -56.56 -48.5 80.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.525 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.5 t -37.72 -53.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -46.95 -52.2 15.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.605 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.718 ' HG2' HG21 ' A' ' 78' ' ' VAL . 10.9 mt-30 -57.47 -56.2 25.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.47 -35.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.018 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.49 -56.82 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.617 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.52 -42.21 83.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.594 ' CE1' ' N ' ' A' ' 84' ' ' ASN . 5.5 t80 -67.2 -63.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 22.3 tptm -38.94 -61.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.899 HD21 ' HA ' ' A' ' 32' ' ' THR . 3.0 tp -57.44 -36.65 71.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.837 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 62.2 t60 -64.16 -50.54 67.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.583 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -57.87 -29.02 64.69 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -86.34 -15.42 40.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.73 21.55 78.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.3 mm-40 -97.7 174.37 6.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.382 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.899 ' HA ' HD21 ' A' ' 26' ' ' LEU . 42.3 p -128.08 175.25 8.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.893 HG13 HD22 ' A' ' 26' ' ' LEU . 1.9 m -130.49 133.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.687 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 77.07 -155.47 44.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.41 -15.74 26.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 0.75 . . . . 0.0 109.998 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.775 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -78.43 -155.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.49 ' H ' ' HB3' ' A' ' 36' ' ' ASN . 6.2 p -130.78 53.79 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.775 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.11 142.75 25.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.819 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -168.24 6.32 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.005 0.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.597 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 33.4 p80 -177.8 163.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.602 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.27 157.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.718 ' HE2' HD12 ' A' ' 90' ' ' ILE . 1.2 t80 -150.24 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.83 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 53.07 -98.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.83 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.4 p-10 153.64 176.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.806 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.39 -46.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.611 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 4.8 mm-40 -47.35 -17.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.43 54.12 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.862 ' CE1' HG22 ' A' ' 90' ' ' ILE . 84.9 m-85 -99.45 133.59 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.31 65.72 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.2 m-30 -71.15 95.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -72.24 29.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.068 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.827 HG23 ' CE1' ' A' ' 56' ' ' TYR . 18.8 m -121.98 160.74 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.672 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -91.11 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.817 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -63.42 169.24 4.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.972 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.817 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.03 158.54 98.9 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.965 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.827 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.4 m-85 -100.01 117.77 34.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.072 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.911 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.2 m-30 -99.31 133.03 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.642 ' HB3' ' CD2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -102.93 130.4 49.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.938 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 23.9 t-105 -141.09 146.39 43.07 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.611 1.194 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.938 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.98 138.17 22.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.705 ' HB ' HG12 ' A' ' 78' ' ' VAL . 2.7 tt -110.67 116.18 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.859 HD21 ' HD1' ' A' ' 68' ' ' TYR . 65.9 mt -86.72 123.56 32.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -19.33 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -15.63 58.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.08 34.69 29.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.36 -178.0 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.018 HG22 ' HB2' ' A' ' 22' ' ' ALA . 29.4 t -103.33 103.0 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.859 ' HD1' HD21 ' A' ' 62' ' ' LEU . 39.3 t80 -43.09 146.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.687 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 32.9 p -99.12 28.11 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.71 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 63.66 156.5 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.465 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 139.13 -120.95 1.99 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.426 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -121.9 71.49 30.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.817 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.89 3.66 5.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -32.09 111.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.48 -57.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.203 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.611 ' HB3' HG23 ' A' ' 61' ' ' ILE . 63.8 m-20 -130.05 121.21 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.641 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 1.7 mmm-85 -146.8 144.9 29.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.102 HG23 HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -112.62 138.28 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.393 1.058 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.0 t -113.92 129.81 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.1 p90 -143.34 -163.67 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.901 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.29 -166.63 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.597 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 12.5 tt0 -90.5 23.22 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.109 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -109.07 -28.09 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.731 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.34 21.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.109 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.1 mt-30 -96.83 -172.73 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.102 HD23 HG23 ' A' ' 78' ' ' VAL . 1.5 tm? -133.4 127.31 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.962 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.03 -35.28 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.896 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 165.33 -142.47 7.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.967 HG12 ' SG ' ' A' ' 103' ' ' CYS . 81.0 t -147.39 91.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.862 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -84.0 164.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.697 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -162.94 160.4 24.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.61 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.6 m-70 -85.96 -6.39 59.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.579 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -31.89 90.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.4 40.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.723 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -60.41 -39.69 88.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.403 0.708 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.776 ' N ' HD21 ' A' ' 99' ' ' ASN . 13.2 t 136.91 42.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.48 -118.58 4.69 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.437 1.085 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.0 OUTLIER -94.73 -7.96 39.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.776 HD21 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.42 149.26 39.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.759 ' O ' HG13 ' A' ' 101' ' ' VAL . 16.6 m-85 -105.8 167.5 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.759 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.4 m -163.14 134.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -56.1 124.35 17.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.215 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.3 m -56.1 -162.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 108.285 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.075 . . . . 0.0 110.349 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.562 ' HB3' ' CA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -160.23 126.19 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 108.262 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.491 ' N ' ' OG ' ' A' ' 12' ' ' SER . 9.1 m-20 -118.88 -10.13 9.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.796 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 88.3 m-85 -131.98 81.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.525 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.6 m -93.29 104.19 16.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.425 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -80.48 62.57 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.265 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.76 -53.94 0.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 35.2 p -130.13 50.92 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 0.823 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.749 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -141.31 -176.18 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.562 ' CA ' ' HB3' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -176.49 62.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.318 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.796 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.35 97.55 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 3' ' ' ASP . 0.9 OUTLIER -60.43 176.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.972 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -17.98 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.4 t -81.77 -29.37 32.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.54 -40.42 20.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.008 ' CG1' HD13 ' A' ' 86' ' ' LEU . 78.1 t -55.7 -51.71 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.461 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 33.9 t -37.1 -52.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.15 -52.88 18.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -58.7 -42.39 88.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HG2' HG21 ' A' ' 78' ' ' VAL . 13.8 mt-30 -57.01 -56.45 21.58 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.9 -37.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.014 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -68.25 -59.6 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.598 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -55.46 -37.98 68.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.731 ' OH ' ' C ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -66.56 -64.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptm -37.32 -62.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.028 HD22 HG13 ' A' ' 33' ' ' VAL . 2.0 tp -57.93 -35.72 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.829 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.2 t60 -65.89 -50.68 63.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.62 -26.64 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -16.97 29.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.215 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.94 22.18 72.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.416 1.073 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 7.3 mm-40 -98.24 176.13 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.996 ' HA ' HD21 ' A' ' 26' ' ' LEU . 20.7 p -129.6 168.01 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.028 HG13 HD22 ' A' ' 26' ' ' LEU . 1.3 m -124.15 132.36 71.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.749 ' CA ' ' O ' ' A' ' 69' ' ' SER . . . 80.65 -156.76 39.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -92.01 -13.46 30.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.698 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.7 m-20 -82.01 -157.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 95.7 p -127.5 51.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.698 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.4 m-85 -103.14 142.84 25.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.826 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.027 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.604 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.6 p80 -177.89 168.63 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.491 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.9 tppp? -54.3 156.05 3.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.723 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -149.29 -34.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.818 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 54.3 -99.49 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.818 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.1 p-10 154.05 173.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 172.74 -46.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 110.949 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -47.02 -17.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.98 54.09 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.805 ' CE1' HG22 ' A' ' 90' ' ' ILE . 84.8 m-85 -99.16 130.43 45.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.55 63.65 4.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -67.84 93.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -68.31 29.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.691 HG23 ' HE1' ' A' ' 56' ' ' TYR . 6.8 m -127.2 157.67 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.625 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 60.8 m -87.59 141.75 28.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.868 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -65.6 172.01 3.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.03 159.58 97.78 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.006 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.691 ' HE1' HG23 ' A' ' 52' ' ' VAL . 20.7 m-85 -101.49 116.34 32.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.998 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -98.22 142.86 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.712 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.5 pp20? -106.08 142.42 35.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.937 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 34.8 t-105 -156.39 145.52 15.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 108.031 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.937 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 136.25 20.32 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 76' ' ' ASP . 5.8 tt -109.65 113.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.84 HD21 ' HD1' ' A' ' 68' ' ' TYR . 51.9 mt -85.9 124.59 32.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 p -55.59 -19.01 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -77.72 -17.5 57.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.25 37.88 20.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -112.15 -176.41 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.014 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.7 t -106.11 100.49 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.84 ' HD1' HD21 ' A' ' 62' ' ' LEU . 19.9 t80 -45.02 148.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.749 ' O ' ' CA ' ' A' ' 34' ' ' GLY . 31.7 p -98.28 18.41 16.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.725 ' CA ' HG23 ' A' ' 33' ' ' VAL . . . 70.96 155.9 1.87 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.554 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 141.81 -118.44 1.32 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -121.02 67.78 16.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.948 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.812 ' HG3' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 6.14 3.55 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.784 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -33.61 112.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 146.62 -60.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.652 ' HB3' HG23 ' A' ' 61' ' ' ILE . 53.8 m-20 -125.96 121.17 32.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.644 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -145.77 144.93 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.858 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.49 138.3 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.415 1.072 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.936 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.2 t -114.88 134.36 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.998 ' O ' ' N ' ' A' ' 57' ' ' TYR . 5.8 p90 -147.31 -167.16 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.762 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -131.41 -172.15 2.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.731 ' C ' ' OH ' ' A' ' 24' ' ' TYR . 6.1 tt0 -88.18 13.64 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.096 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.81 -22.9 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.71 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.94 26.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.096 HE21 ' ND2' ' A' ' 83' ' ' ASN . 32.0 mt-30 -110.03 133.55 53.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.008 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -85.33 131.69 34.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.936 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.9 -39.31 69.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.619 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 166.03 -142.59 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.991 HG12 ' SG ' ' A' ' 103' ' ' CYS . 90.7 t -143.49 92.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.437 0.728 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.805 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.56 164.0 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.211 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.713 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -158.04 151.34 23.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.879 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.2 m-70 -77.19 -9.57 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.63 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -32.36 74.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.879 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 65.16 -58.69 0.09 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.032 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . 45.8 7.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 0.808 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.689 ' H ' ' C ' ' A' ' 94' ' ' GLY . 2.2 t 82.79 10.52 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.061 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 162.35 -138.28 5.3 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.71 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.9 t-20 -94.53 -2.95 50.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.239 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 1.032 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 6.7 p30 -62.51 -169.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.818 ' O ' HG13 ' A' ' 101' ' ' VAL . 50.1 m-85 -129.09 166.39 19.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.818 HG13 ' O ' ' A' ' 100' ' ' PHE . 17.5 m -164.13 134.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -54.2 124.9 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.236 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 63.7 m -53.51 -171.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.646 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -102.77 62.17 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 108.341 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' OD1' ' HA ' ' A' ' 12' ' ' SER . 5.1 m-20 -41.49 -28.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.161 ' CE2' HG21 ' A' ' 16' ' ' VAL . 80.3 m-85 -141.33 113.91 8.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 9' ' ' ASN . 6.9 m -122.6 106.83 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 29.6 m -80.6 68.14 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 108.326 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.16 -48.66 3.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.597 1.186 . . . . 0.0 111.066 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -158.23 49.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.07 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.775 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -123.1 -166.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 49.2 t -171.96 78.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.879 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 11.5 m-85 -92.44 53.26 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 5.3 p -28.74 152.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 p -39.28 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.1 t -81.72 -25.69 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.879 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -83.08 -21.59 33.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.161 HG21 ' CE2' ' A' ' 4' ' ' TYR . 26.9 t -74.52 -71.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.471 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 15.5 t -41.46 -53.33 3.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -48.65 -48.64 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -59.51 -44.57 93.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.046 ' OE1' HG12 ' A' ' 16' ' ' VAL . 6.9 mt-30 -62.9 -58.24 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.57 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.069 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -72.03 -55.9 6.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.581 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.07 -44.34 94.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 4.2 t80 -65.33 -63.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.758 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.9 tptp -38.07 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.951 HD21 ' HA ' ' A' ' 32' ' ' THR . 4.8 tp -56.38 -36.77 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.836 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 70.0 t60 -63.85 -50.29 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.597 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -58.05 -27.77 63.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.05 -15.06 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.65 24.42 76.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 26' ' ' LEU . 12.2 mm-40 -101.86 176.88 5.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.951 ' HA ' HD21 ' A' ' 26' ' ' LEU . 74.8 p -129.03 176.57 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.941 HG13 HD22 ' A' ' 26' ' ' LEU . 2.4 m -130.15 129.98 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 77.69 -150.8 36.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.71 -10.47 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -80.87 -164.12 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 3.8 p -126.38 46.18 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.8 m-85 -99.21 144.19 27.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.891 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 -171.07 8.88 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.979 -0.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -177.33 157.98 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -46.11 150.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.738 ' HE2' HD12 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -142.67 -34.55 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.81 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 55.68 -96.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.81 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.9 p-10 152.84 178.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.227 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.803 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 173.45 -47.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.953 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 7.2 mt-10 -47.29 -17.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.475 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.03 53.65 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.093 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.833 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 92.4 m-85 -96.2 133.05 40.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.32 61.43 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.833 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.1 m-30 -66.79 97.51 0.47 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.152 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.7 p -73.98 25.46 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.902 HG23 ' CE1' ' A' ' 56' ' ' TYR . 27.0 m -116.71 161.23 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.679 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 3.2 m -89.62 136.24 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.852 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.23 170.39 5.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.971 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.852 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.2 Cg_endo -75.09 157.75 99.32 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.036 0.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.902 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.5 m-85 -97.89 121.39 39.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.907 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -101.26 133.09 46.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.601 1.188 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.631 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 6.9 pt-20 -100.54 135.85 41.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 27.4 t-105 -151.0 149.67 25.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 107.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 154.37 42.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.689 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.5 tt -119.29 115.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.758 HD11 ' HA ' ' A' ' 68' ' ' TYR . 89.7 mt -83.41 124.27 30.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.3 p -57.73 -12.14 2.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -91.89 -11.94 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.99 37.2 33.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -114.08 -174.11 2.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.069 HG22 ' HB2' ' A' ' 22' ' ' ALA . 50.0 t -100.27 109.53 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.822 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 22.9 t80 -43.85 170.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.66 ' O ' ' C ' ' A' ' 33' ' ' VAL . 48.0 p -95.81 -52.5 4.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.694 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 143.08 151.2 5.44 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.651 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 94.09 -108.44 3.67 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.62 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.6 t -102.31 96.8 7.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.036 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.854 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.4 Cg_endo -74.95 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.561 1.822 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 76' ' ' ASP . . . 155.96 45.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.702 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . 68.19 -49.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.694 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.1 m-20 -56.66 128.23 35.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.854 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -151.24 136.53 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.082 HG23 ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -101.96 130.94 50.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.009 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.1 t -106.76 129.0 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.907 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.4 p90 -143.01 -162.33 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.895 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -135.05 -164.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.568 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.18 21.1 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.247 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.114 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -106.18 -28.24 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.74 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 108.25 19.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.114 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.3 mt-30 -95.58 -173.33 2.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.082 ' CD2' HG23 ' A' ' 78' ' ' VAL . 1.5 tm? -136.7 128.12 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.009 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.41 -32.8 64.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.82 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 159.8 -147.24 14.14 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.896 HG12 ' SG ' ' A' ' 103' ' ' CYS . 45.6 t -139.14 92.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.779 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -84.29 167.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.624 1.202 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.681 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.98 143.74 12.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.353 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.702 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 5.3 m-70 -73.6 23.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -57.8 82.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 38.09 37.2 0.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.768 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -69.64 -4.24 18.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.768 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 19.5 t 122.8 29.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 96.71 -93.1 1.44 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.448 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -94.88 16.6 15.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.754 ' ND2' ' HB3' ' A' ' 96' ' ' SER . 4.5 m-20 -84.78 163.49 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.754 ' O ' HG13 ' A' ' 101' ' ' VAL . 25.1 m-85 -126.1 160.27 30.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 100' ' ' PHE . 24.0 m -162.92 132.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.609 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.47 122.18 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.404 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 82.0 m -53.9 -171.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.383 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.761 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -161.28 123.02 2.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 108.33 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.451 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -136.07 -7.99 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.777 ' CB ' HG21 ' A' ' 89' ' ' VAL . 88.3 m-85 -132.48 92.3 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 9' ' ' ASN . 16.2 m -100.45 107.85 19.68 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.135 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.2 m -84.18 65.18 8.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.48 -53.19 0.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.458 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -131.37 53.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 0.745 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.764 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.45 -176.01 4.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.761 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.14 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 0.0 108.253 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.717 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -126.66 100.46 6.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.451 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 58.5 p -64.11 179.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.92 -17.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.4 t -80.7 -30.6 36.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.717 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -84.29 -40.11 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.943 HG13 ' CG1' ' A' ' 78' ' ' VAL . 78.8 t -54.74 -51.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 43.6 t -36.21 -54.55 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.944 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -47.63 -50.46 24.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.453 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.0 -41.69 97.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.366 1.041 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 6.9 mt-30 -60.26 -59.43 5.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.95 -39.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.922 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -69.18 -57.12 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 27' ' ' HIS . . . -55.79 -47.94 75.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.672 ' CE2' ' OE1' ' A' ' 28' ' ' GLU . 6.4 t80 -53.74 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.5 tptp -41.44 -65.78 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.945 HD23 ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -55.53 -28.7 56.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.877 ' CD2' ' CD2' ' A' ' 57' ' ' TYR . 73.8 t60 -73.04 -52.86 12.79 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.672 ' OE1' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -55.34 -26.32 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.27 -13.14 55.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.13 21.28 79.25 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.616 ' HB2' HD12 ' A' ' 26' ' ' LEU . 69.0 mm-40 -106.56 169.44 8.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.607 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -131.54 157.78 42.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.874 ' HB ' ' C ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -72.61 122.57 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.642 ' O ' ' CB ' ' A' ' 35' ' ' SER . . . -46.41 104.36 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.424 1.077 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.849 ' HB2' ' CA ' ' A' ' 70' ' ' GLY . 2.7 m 147.64 -29.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.783 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.775 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 2.8 m-20 -152.4 -162.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.503 ' C ' ' CG2' ' A' ' 32' ' ' THR . 19.1 p -112.61 35.29 3.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.699 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.6 OUTLIER -97.78 144.92 28.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.945 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.89 -169.33 7.21 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.004 -0.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.584 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 25.0 p80 178.96 165.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 2.9 ttpm? -49.1 168.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.749 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 19.1 t80 -154.72 13.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 6.3 m-80 -10.49 87.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.791 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -47.47 168.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 178.73 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.8 OUTLIER -45.87 -20.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 116.24 55.82 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.726 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 82.5 m-85 -100.89 133.08 45.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.37 71.23 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 14.1 m-30 -79.28 104.96 10.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -75.5 26.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.547 ' H ' ' C ' ' A' ' 50' ' ' PHE . 16.3 m -124.12 161.92 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.731 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 75.1 m -88.52 153.37 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.864 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -83.27 171.29 11.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.075 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.864 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.95 159.65 97.69 Favored 'Cis proline' 0 C--N 1.359 1.083 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.956 0.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.658 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 23.2 m-85 -97.4 133.79 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.877 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 11.6 m-30 -113.19 130.18 56.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.606 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.6 pp20? -97.28 142.53 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.03 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 21.8 t-105 -155.53 149.11 18.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 108.026 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.03 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.0 148.75 35.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.73 HG13 ' HB2' ' A' ' 19' ' ' ALA . 7.2 tt -118.69 113.6 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 64' ' ' SER . 86.9 mt -83.51 116.51 22.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.6 p -54.42 -14.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -84.11 -14.62 49.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 33.44 25.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.408 1.067 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -108.87 -172.42 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.769 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 22' ' ' ALA . 32.7 t -114.6 114.25 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.766 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 5.1 t80 -40.02 164.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.874 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 27.4 p -114.56 -9.03 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 110.02 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.849 ' CA ' ' HB2' ' A' ' 35' ' ' SER . . . 121.19 178.96 16.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.794 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 72.43 -145.3 37.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.706 ' C ' ' OH ' ' A' ' 68' ' ' TYR . 28.8 m -89.8 106.52 14.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.953 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.09 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.577 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 119.3 -101.92 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.801 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -140.7 -43.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 0.818 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.715 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 5.0 m-20 -61.53 132.48 53.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.715 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 10.0 mmt-85 -153.25 146.97 25.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.943 ' CG1' HG13 ' A' ' 16' ' ' VAL . 5.1 m -113.83 135.35 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.881 ' O ' ' N ' ' A' ' 87' ' ' ALA . 70.6 t -111.58 137.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.851 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 5.8 p90 -145.81 -153.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.845 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -141.31 -163.95 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.598 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.26 17.06 11.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.845 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -104.8 -29.84 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.735 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 110.5 19.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.851 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 55.8 mt-30 -94.28 -176.64 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.241 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.069 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.42 127.0 43.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.881 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.22 -41.72 66.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.04 -135.17 3.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.839 HG12 ' SG ' ' A' ' 103' ' ' CYS . 47.0 t -150.75 92.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.796 HD13 ' CG2' ' A' ' 79' ' ' VAL . 2.0 pt -87.15 166.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.801 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -163.13 150.69 13.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.666 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.7 m170 -75.54 11.88 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -46.88 89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.96 42.4 0.07 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.694 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -60.22 -11.18 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 0.72 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.6 t 98.18 47.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.417 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 120.87 -131.63 8.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.21 7.78 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.228 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.694 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -70.35 161.35 30.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.741 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.1 m-85 -114.27 167.01 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.0 m -162.86 133.9 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -55.37 125.29 20.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.135 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 99.5 m -55.34 -168.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.378 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.73 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -164.01 121.08 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.617 1.198 . . . . 0.0 108.34 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -137.57 -3.13 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.689 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 83.5 m-85 -137.32 91.5 2.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 9' ' ' ASN . 6.3 m -101.13 106.8 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 6.3 m -83.13 66.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.06 -52.34 0.56 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.438 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 24.0 p -132.22 52.76 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.796 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -143.87 -176.83 5.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.73 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -177.21 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.689 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.26 100.19 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.482 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 28.6 p -64.04 178.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 p -50.77 -17.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.043 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.0 t -81.09 -30.01 34.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -83.9 -39.45 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.724 HG11 ' HG ' ' A' ' 86' ' ' LEU . 92.0 t -58.74 -49.55 82.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.518 ' HA ' ' CD ' ' A' ' 20' ' ' GLN . 7.6 t -35.91 -52.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.965 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.32 -51.93 31.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.579 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.83 -41.73 96.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.641 ' HG2' HG21 ' A' ' 78' ' ' VAL . 11.0 mt-30 -57.49 -54.68 44.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -35.57 -39.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.646 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.7 -49.4 21.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.578 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.17 -41.99 54.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 110.977 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 27' ' ' HIS . 1.0 OUTLIER -76.38 -66.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -37.19 -56.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.964 ' CD2' HG13 ' A' ' 33' ' ' VAL . 11.5 tp -62.59 -36.98 84.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 25.9 t60 -64.17 -45.33 88.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.523 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.65 -24.29 66.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 10.8 m-20 -83.91 -22.83 31.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.85 22.32 69.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.947 ' C ' HD11 ' A' ' 26' ' ' LEU . 5.2 mm-40 -101.2 175.16 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.523 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 59.7 p -126.59 -177.87 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.964 HG13 ' CD2' ' A' ' 26' ' ' LEU . 13.8 m -136.4 127.93 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.598 ' HA3' ' CA ' ' A' ' 70' ' ' GLY . . . 76.18 -144.45 30.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -97.03 -14.69 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.606 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.1 m-20 -75.39 -165.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -125.4 43.24 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.056 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -97.84 147.34 32.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.63 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -169.91 7.79 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.987 -0.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.647 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.4 p80 177.94 162.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.622 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -47.44 163.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.861 ' CE2' HD12 ' A' ' 90' ' ' ILE . 2.3 t80 -154.84 -40.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.821 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 1.8 m-80 61.19 -95.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.821 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.0 p-10 153.82 171.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.788 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER 179.94 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.722 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.13 -19.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.76 52.95 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.062 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.6 m-85 -95.58 133.87 39.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.89 57.22 2.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.833 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 13.0 m-30 -60.6 93.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.8 p -71.62 24.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.907 HG23 ' CE1' ' A' ' 56' ' ' TYR . 22.3 m -114.75 160.95 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.694 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.3 t -89.31 139.32 30.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.822 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.6 p -68.93 169.62 10.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.822 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.98 159.53 97.88 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.037 0.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.907 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.3 m-85 -99.8 121.63 41.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.892 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.0 m-30 -100.54 130.98 46.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.729 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.6 pt-20 -99.76 132.32 45.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.004 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 39.1 t-105 -145.4 145.93 28.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.004 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.94 149.49 37.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.411 1.742 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.75 ' HB ' HG12 ' A' ' 78' ' ' VAL . 6.6 tt -117.77 118.8 59.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' A' ' 68' ' ' TYR . 88.6 mt -87.65 119.34 27.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -59.55 -9.83 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.21 -19.38 28.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.04 35.35 9.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.89 -172.57 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 22' ' ' ALA . 26.7 t -109.8 111.01 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.895 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 16.1 t80 -40.16 146.26 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.542 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 57.0 p -157.84 66.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.626 ' C ' ' OH ' ' A' ' 68' ' ' TYR . . . -166.18 -143.54 3.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.687 ' CA ' ' OH ' ' A' ' 68' ' ' TYR . . . -126.7 -33.51 0.65 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 74' ' ' GLY . 13.0 p -116.22 82.93 12.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.039 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.645 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 43.66 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 72.28 -102.04 1.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.098 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.579 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -150.18 -36.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.646 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 4.4 m-20 -60.64 129.64 42.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.646 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 6.2 mmt-85 -147.96 143.31 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.017 HG23 HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -109.67 141.13 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.924 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.7 t -118.37 134.66 61.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.385 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.892 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -147.07 -161.09 1.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.871 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -133.81 -162.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -92.6 17.5 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.241 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.1 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.91 -30.77 10.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.734 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 109.85 20.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.1 HE21 ' ND2' ' A' ' 83' ' ' ASN . 35.3 mt-30 -92.48 -171.8 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.017 HD23 HG23 ' A' ' 78' ' ' VAL . 2.0 tm? -133.42 125.88 30.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.924 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.25 -31.84 62.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.769 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 157.52 -149.44 20.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.77 HG12 ' SG ' ' A' ' 103' ' ' CYS . 8.8 t -139.92 95.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.868 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -93.5 161.33 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.762 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.2 OUTLIER -146.35 142.41 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.632 ' HA ' ' O ' ' A' ' 99' ' ' ASN . 7.3 m170 -60.81 17.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.762 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.2 m -85.54 172.62 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.45 63.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 99' ' ' ASN . . . -137.59 67.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.7 t -56.36 -13.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . -113.41 -87.15 1.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.56 1.163 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 1.299 ' O ' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -91.27 81.05 5.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.732 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -26.34 52.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.232 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 1.299 ' N ' ' O ' ' A' ' 98' ' ' ASN . 16.8 m-85 -153.96 144.58 22.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.017 HG13 ' O ' ' A' ' 100' ' ' PHE . 3.7 m -169.82 130.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.567 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -47.03 112.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 84.5 m -53.99 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 5' ' ' THR . 67.0 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.404 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.576 ' H3 ' ' CB ' ' A' ' 12' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.615 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -168.03 137.7 2.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.89 -34.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.105 ' CE2' HG21 ' A' ' 16' ' ' VAL . 73.4 m-85 -121.23 127.33 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.837 HG23 ' O ' ' A' ' 9' ' ' ASN . 1.9 m -120.07 110.79 17.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.722 ' H ' ' HB2' ' A' ' 9' ' ' ASN . 21.1 m -85.79 62.86 7.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.31 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.2 -54.84 1.48 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 79.8 p -127.89 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.982 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.837 ' O ' HG23 ' A' ' 5' ' ' THR . 0.3 OUTLIER -144.96 -177.45 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -179.09 77.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 108.271 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CZ ' ' CB ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -94.25 126.73 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -73.79 158.73 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.0 p -43.27 -22.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.49 ' N ' ' C ' ' A' ' 12' ' ' SER . 32.4 t -80.17 -22.38 42.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.723 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -81.92 -22.95 36.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.105 HG21 ' CE2' ' A' ' 4' ' ' TYR . 19.2 t -75.04 -71.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.48 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 6.3 t -39.81 -55.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -46.64 11.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.616 ' CB ' HG21 ' A' ' 78' ' ' VAL . . . -61.94 -44.12 97.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.747 ' OE1' HG12 ' A' ' 16' ' ' VAL . 9.8 mt-30 -59.85 -58.14 9.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.35 -38.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.049 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.97 -50.82 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.649 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -54.2 -42.2 72.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.405 1.066 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.577 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -77.77 -63.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 111.041 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 28.8 tptp -34.71 -62.31 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.875 HD23 ' CD ' ' A' ' 39' ' ' PRO . 5.1 tp -58.65 -39.03 79.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.827 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 47.3 t60 -61.87 -48.46 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -61.26 -26.35 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.21 -19.06 27.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.24 23.63 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . 22.6 mm-40 -99.52 171.53 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 0.806 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.726 ' CA ' HD21 ' A' ' 26' ' ' LEU . 71.3 p -124.11 -179.06 4.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.847 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.8 m -141.72 128.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.497 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 82.64 -147.93 25.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -96.61 -14.72 21.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.475 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -80.76 -164.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.476 1.11 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -123.78 44.19 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.2 m-30 -94.63 147.4 33.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.875 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -170.93 8.73 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.929 0.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 28.9 p80 179.23 169.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.662 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -52.14 159.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.789 ' HE2' HD12 ' A' ' 90' ' ' ILE . 1.4 t80 -154.29 -38.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.827 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 58.27 -95.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.8 p-10 153.33 168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.791 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -177.06 -49.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.87 -19.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 113.08 54.25 0.46 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.894 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.6 m-85 -95.29 134.31 38.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 12.3 m-30 -64.0 93.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.0 p -73.01 24.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.786 HG23 ' CE1' ' A' ' 56' ' ' TYR . 18.4 m -116.16 160.9 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.667 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 5.5 t -89.24 138.91 31.01 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.857 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -66.53 171.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.857 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.1 Cg_endo -75.04 159.17 98.36 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.989 -2.505 . . . . 0.0 110.987 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.786 ' CE1' HG23 ' A' ' 52' ' ' VAL . 20.4 m-85 -99.93 117.17 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.903 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.1 m-30 -98.98 135.07 40.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.603 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.3 pp20? -99.22 144.84 27.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.986 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 35.7 t-105 -160.97 147.03 11.28 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.986 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.09 156.22 42.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.428 1.752 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.707 HD12 HG11 ' A' ' 78' ' ' VAL . 18.7 tt -119.67 126.26 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 68' ' ' TYR . 65.6 mt -90.31 123.51 34.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -60.44 -7.95 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -96.63 -7.42 34.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.48 ' C ' HD12 ' A' ' 62' ' ' LEU . 2.6 m-20 -113.84 -164.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.049 HG22 ' HB2' ' A' ' 22' ' ' ALA . 24.0 t -110.61 123.69 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.029 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -73.69 139.54 45.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.0 p -111.36 -81.73 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.402 1.064 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . . . -33.26 150.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.497 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.12 -15.23 60.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 p -109.8 95.28 19.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.597 0.822 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 1.071 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.03 -86.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 76' ' ' ASP . . . 173.5 60.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.56 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . 56.66 -51.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.836 ' N ' ' O ' ' A' ' 74' ' ' GLY . 5.2 m-20 -56.15 126.4 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 1.071 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.8 OUTLIER -148.78 139.78 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.93 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -107.91 134.18 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -108.2 140.61 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.997 ' HB2' ' O ' ' A' ' 85' ' ' GLN . 8.6 p90 -151.09 -164.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.887 ' ND2' HD21 ' A' ' 83' ' ' ASN . 0.0 OUTLIER -134.31 -168.4 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.3 tt0 -89.56 18.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.107 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -103.42 -26.04 13.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.741 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.26 20.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.107 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.9 mt-30 -99.95 -178.08 3.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.044 HD13 HG13 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -131.31 131.11 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.868 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -74.03 -34.46 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.441 ' O ' HD21 ' A' ' 86' ' ' LEU . . . 160.82 -152.48 23.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.15 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.953 HG12 ' SG ' ' A' ' 103' ' ' CYS . 50.1 t -132.52 92.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.894 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -84.48 163.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.793 ' C ' ' H ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -154.95 141.66 18.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 99' ' ' ASN . 10.0 m170 -58.26 27.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.601 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.793 ' H ' ' C ' ' A' ' 91' ' ' THR . 2.9 m -92.29 168.94 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 6.52 63.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.786 ' HB3' ' HA ' ' A' ' 99' ' ' ASN . . . -135.08 68.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.8 t -56.88 -12.9 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.058 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -114.8 -85.43 1.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 1.284 ' O ' ' N ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -91.55 81.06 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.786 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -26.68 52.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 109.324 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 1.284 ' N ' ' O ' ' A' ' 98' ' ' ASN . 15.9 m-85 -153.02 142.64 21.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 100' ' ' PHE . 3.6 m -168.53 130.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -47.88 112.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.953 ' SG ' HG12 ' A' ' 89' ' ' VAL . 62.8 m -53.37 -170.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.53 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -119.6 57.9 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 108.333 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -38.03 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.244 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.0 m-85 -137.96 114.25 10.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.689 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -123.82 107.2 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 20.0 m -82.42 64.96 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.15 -53.28 4.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 111.084 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -149.19 48.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.765 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.54 -168.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 43.6 t -172.05 74.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 108.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.874 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.0 m-85 -87.08 47.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -26.65 151.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 53.7 p -38.87 -23.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.058 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -81.93 -25.57 34.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.085 . . . . 0.0 110.038 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.874 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.95 -22.3 29.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.244 HG21 ' CE2' ' A' ' 4' ' ' TYR . 39.5 t -75.07 -71.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.8 t -37.2 -50.74 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -47.72 -51.11 23.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.6 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -63.02 -42.41 99.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.184 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.869 ' OE1' HG12 ' A' ' 16' ' ' VAL . 4.9 mt-30 -58.96 -58.43 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.04 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.052 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -80.0 -50.14 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.68 -43.16 99.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -72.69 -62.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 0.82 . . . . 0.0 111.038 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 18.9 tptm -36.58 -61.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.894 HD22 ' CG1' ' A' ' 33' ' ' VAL . 2.6 tp -58.28 -37.34 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 60.5 t60 -64.23 -49.16 73.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.587 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.51 -25.74 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.57 -18.27 26.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.32 23.71 67.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HB2' HD12 ' A' ' 26' ' ' LEU . 15.0 mm-40 -99.02 173.76 6.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.808 ' HA ' HD21 ' A' ' 26' ' ' LEU . 82.6 p -124.31 -179.6 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.894 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.4 m -141.78 131.0 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.54 -154.51 38.34 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t -96.21 17.65 15.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.7 m-20 -113.71 -166.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.9 p -120.76 41.71 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.943 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 39' ' ' PRO . 2.3 m-30 -93.97 147.78 34.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.078 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.86 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.05 -169.34 7.27 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.961 0.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.572 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 176.65 167.64 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.543 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -49.08 163.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.776 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 12.2 t80 -152.02 12.36 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.693 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -8.92 84.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.758 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -50.73 168.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.256 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.758 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.18 -42.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 0.0 111.061 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.51 -20.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.504 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.39 55.46 0.36 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.802 ' CE1' HG22 ' A' ' 90' ' ' ILE . 83.2 m-85 -99.55 130.22 45.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.33 59.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 21.8 m-30 -58.78 113.23 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -61.42 0.94 0.24 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 1.082 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.71 HG22 ' CB ' ' A' ' 87' ' ' ALA . 15.6 m -111.47 151.19 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.07 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 36.1 t -86.97 172.25 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.766 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 17.4 p -79.82 164.08 55.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.773 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.05 172.97 60.33 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.932 0.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.8 m-30 -116.75 126.84 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.999 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.6 m-30 -112.72 118.25 34.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.9 pp20? -78.63 137.73 37.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.893 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 51.0 t-105 -158.2 144.17 12.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 0.0 107.993 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.976 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 146.67 33.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.832 ' HB ' ' CG1' ' A' ' 78' ' ' VAL . 12.5 tt -112.84 120.86 63.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.811 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 41.7 mt -84.63 124.06 31.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.45 0.62 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 62' ' ' LEU . 1.7 m -104.13 -7.14 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.62 38.91 42.36 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.524 1.14 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.617 ' HB2' HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -114.39 -161.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.257 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.052 HG22 ' HB2' ' A' ' 22' ' ' ALA . 13.1 t -117.21 120.5 65.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.976 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -71.01 108.36 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.524 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 3.7 p -108.22 37.11 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -142.58 156.27 26.17 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.489 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -77.37 -16.06 80.83 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 m -114.99 81.85 8.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.874 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -45.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 144.24 -118.59 1.18 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.694 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -117.67 -45.9 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.605 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.9 m-20 -60.87 126.61 28.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.74 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.94 144.99 29.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.863 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -109.8 157.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.33 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 73.0 t -137.9 89.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.999 ' O ' ' N ' ' A' ' 57' ' ' TYR . 15.8 p90 -100.2 -160.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.07 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -134.7 -165.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.685 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 11.3 tt0 -90.84 13.91 15.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.112 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -104.9 -22.45 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.721 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 105.87 20.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.112 HE21 ' ND2' ' A' ' 83' ' ' ASN . 28.3 mt-30 -105.89 115.69 30.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.049 HD13 HG13 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -99.01 146.25 26.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.01 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -154.5 -34.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 1.33 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -60.48 51.63 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.137 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -78.88 34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.356 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.914 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.83 175.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.731 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.95 154.12 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.0 m170 -85.31 4.13 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.662 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.41 -20.86 31.17 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.831 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -123.69 36.07 3.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.849 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -131.15 -44.36 1.03 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 0.793 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t 76.29 55.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.428 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 147.6 -134.77 5.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.534 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.3 OUTLIER -93.51 -9.81 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.849 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -65.81 159.06 26.15 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.914 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.0 m-85 -122.3 164.02 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.589 1.181 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.831 HG21 ' O ' ' A' ' 94' ' ' GLY . 34.5 m -162.3 125.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 103' ' ' CYS . 2.0 pt-20 -52.6 123.14 10.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.448 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 98.9 m -50.72 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 108.258 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.542 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -113.8 60.69 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.17 . . . . 0.0 108.308 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.17 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.262 ' CE2' HG21 ' A' ' 16' ' ' VAL . 97.0 m-85 -138.44 110.9 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.895 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.45 105.94 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.111 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.4 m -80.92 61.74 4.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.67 -46.18 3.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.436 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.7 p -155.19 47.03 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.747 . . . . 0.0 110.047 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.741 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -124.78 -167.83 1.73 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 45.6 t -171.96 75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 108.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.849 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.9 m-85 -88.85 49.51 1.8 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.807 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -28.39 152.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 24.5 p -38.91 -22.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 12' ' ' SER . 22.2 t -82.45 -25.6 33.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.849 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.29 -20.82 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.262 HG21 ' CE2' ' A' ' 4' ' ' TYR . 36.2 t -74.89 -70.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.6 t -36.6 -44.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.069 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.87 -54.34 30.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.83 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.5 -43.24 97.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.895 ' OE1' HG12 ' A' ' 16' ' ' VAL . 5.1 mt-30 -58.53 -58.02 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -31.93 -37.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.057 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -79.78 -53.83 6.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -57.57 -43.96 94.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.663 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 3.0 t80 -68.78 -65.62 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 0.786 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 23.9 tptm -45.27 -53.73 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.955 HD21 HG13 ' A' ' 33' ' ' VAL . 56.7 tp -61.56 -33.46 73.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.888 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 59.6 t60 -67.7 -49.71 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.551 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.609 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -60.37 -23.5 64.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-20 -84.65 -22.09 30.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.43 77.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.674 ' HB2' HD12 ' A' ' 26' ' ' LEU . 39.3 mm-40 -97.89 175.07 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 42.3 p -129.31 178.05 6.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.955 HG13 HD21 ' A' ' 26' ' ' LEU . 4.2 m -136.38 128.01 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.559 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 78.65 -152.44 37.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.581 1.175 . . . . 0.0 111.044 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -96.41 18.34 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.546 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.8 m-20 -108.07 -167.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.9 p -122.84 38.3 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.06 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.4 m-85 -94.7 144.57 28.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.814 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 -174.44 14.14 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.917 -2.535 . . . . 0.0 111.02 -0.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.613 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 28.4 p80 174.16 165.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.09 165.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.843 ' CD1' HG11 ' A' ' 79' ' ' VAL . 22.4 t80 -149.99 12.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.703 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -6.56 84.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.776 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.6 p-10 -55.61 172.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.776 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -178.02 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.082 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.09 -20.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.42 57.66 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.568 1.167 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.752 ' CE1' HG22 ' A' ' 90' ' ' ILE . 74.1 m-85 -102.7 130.6 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.12 59.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -57.73 115.35 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.3 p -61.4 1.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.725 HG22 ' CB ' ' A' ' 87' ' ' ALA . 14.0 m -114.29 149.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.006 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 8.4 t -88.36 168.6 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.823 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 76.1 p -72.33 163.37 67.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.823 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.94 173.0 60.1 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.042 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.633 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 18.1 m-30 -118.47 124.84 48.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.985 ' N ' ' O ' ' A' ' 80' ' ' PHE . 15.9 m-30 -111.52 116.14 30.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.621 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 4.7 pt-20 -79.08 140.1 37.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.006 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 50.7 t-105 -161.5 146.61 10.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.598 1.187 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.027 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 143.57 28.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.835 ' HB ' HG12 ' A' ' 78' ' ' VAL . 12.7 tt -110.44 122.36 64.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.797 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 28.5 mt -88.35 120.9 30.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -63.21 -4.62 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -98.94 -5.73 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.02 37.66 56.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.656 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -111.95 -162.54 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.057 HG22 ' HB2' ' A' ' 22' ' ' ALA . 19.4 t -119.12 120.74 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.027 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 1.4 m-85 -71.32 103.15 2.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.585 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 92.1 p -101.62 37.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.08 161.24 28.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.559 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -82.03 -11.97 81.72 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.4 t -115.46 76.57 5.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.875 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.95 -39.93 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.688 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 144.51 -110.69 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.625 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -129.52 -41.46 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.589 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.08 129.84 42.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.817 ' O ' ' O ' ' A' ' 88' ' ' GLY . 21.5 mmt-85 -147.26 144.76 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.861 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 1.3 m -106.98 158.14 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.354 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 75.5 t -139.52 79.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.985 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -90.89 -163.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.006 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -131.51 -166.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.672 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -90.55 16.64 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.805 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -107.06 -24.34 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.728 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 108.43 20.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.733 HE21 ' ND2' ' A' ' 83' ' ' ASN . 46.7 mt-30 -107.19 119.01 38.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.063 HD21 HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -99.12 144.75 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.909 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -151.89 -35.85 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 1.354 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -62.16 52.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.12 ' CG1' ' HB2' ' A' ' 103' ' ' CYS . 1.9 t -80.94 33.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 0.79 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.91 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -65.21 175.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.727 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -162.79 152.9 16.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 10.0 m170 -75.19 10.45 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.26 89.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.21 42.84 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.703 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -61.33 -7.56 3.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.2 t 99.66 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.97 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.424 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 119.83 -131.29 8.85 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.497 1.123 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -95.9 9.09 41.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.428 0.722 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.703 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -69.45 165.79 20.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.91 ' CD1' HG13 ' A' ' 90' ' ' ILE . 16.7 m-85 -118.92 165.23 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.714 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.9 m -162.56 126.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.708 ' C ' ' H ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -49.89 131.91 22.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.12 ' HB2' ' CG1' ' A' ' 89' ' ' VAL . 56.9 m -60.1 5.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.856 HG23 ' C ' ' A' ' 103' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -122.46 57.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.6 m-20 -37.47 -30.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.244 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.2 m-85 -138.31 114.53 10.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.726 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.8 m -124.73 107.22 10.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.7 m -82.33 64.65 7.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 108.306 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.8 -55.04 4.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.3 p -146.28 48.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -125.05 -169.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.0 t -172.17 74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.249 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.852 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.4 m-85 -87.39 47.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -27.26 152.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.6 p -39.39 -22.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.1 t -83.13 -24.76 32.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.852 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.96 -21.84 27.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.244 HG21 ' CE2' ' A' ' 4' ' ' TYR . 42.8 t -74.61 -71.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 21.0 t -36.87 -46.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.55 -53.17 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.34 -42.96 99.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.914 ' OE1' HG12 ' A' ' 16' ' ' VAL . 5.1 mt-30 -59.35 -58.9 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -32.96 -36.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.015 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.03 -55.1 6.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -59.49 -42.78 97.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.15 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.649 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 2.3 t80 -67.04 -61.24 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -41.48 -61.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.019 HD22 HG13 ' A' ' 33' ' ' VAL . 3.1 tp -57.27 -33.13 67.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 57.7 t60 -67.84 -51.78 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.541 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.624 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -58.4 -25.12 61.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 -18.47 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.73 24.25 70.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 26' ' ' LEU . 65.3 mm-40 -97.87 177.5 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.353 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.915 ' HA ' HD21 ' A' ' 26' ' ' LEU . 63.8 p -127.25 176.83 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.364 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.019 HG13 HD22 ' A' ' 26' ' ' LEU . 2.9 m -138.11 132.65 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.517 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.94 -148.88 30.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.448 1.093 . . . . 0.0 111.054 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.11 -8.58 29.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -87.77 -164.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -123.44 45.29 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.8 m-85 -94.09 147.85 34.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.916 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 -169.98 7.85 Favored 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.042 -2.483 . . . . 0.0 110.931 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.641 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 24.5 p80 -179.53 168.37 1.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 19.7 ttpt -54.17 158.82 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.721 ' CD1' HG11 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -155.2 -38.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 110.979 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.85 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 3.5 m-80 57.85 -97.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.85 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.4 p-10 150.63 170.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -175.97 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 29.5 mt-10 -45.92 -16.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.499 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 108.26 54.48 0.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.57 1.169 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.877 ' CE1' HG22 ' A' ' 90' ' ' ILE . 93.4 m-85 -94.2 131.92 39.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.95 56.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.704 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 17.3 m-30 -55.69 102.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.41 0.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.743 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.9 m -108.59 151.26 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.127 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.9 m -85.76 170.03 12.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.777 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 11.3 p -77.0 164.63 57.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.804 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.0 Cg_endo -75.07 174.19 54.0 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.986 0.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.7 m-30 -118.41 112.48 20.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.029 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -100.74 123.06 44.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.641 ' OE2' ' CD2' ' A' ' 40' ' ' HIS . 1.6 pp20? -83.75 136.45 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.889 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 40.7 t-105 -157.44 145.98 14.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 108.01 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.015 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.93 145.67 32.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.9 ' HB ' HG12 ' A' ' 78' ' ' VAL . 9.3 tt -110.43 122.7 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.824 ' HG ' ' CD2' ' A' ' 68' ' ' TYR . 30.6 mt -90.1 119.97 30.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -4.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -100.2 -3.63 31.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.86 38.98 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.684 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -111.26 -163.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 0.726 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.015 HG22 ' HB2' ' A' ' 22' ' ' ALA . 17.0 t -118.45 119.67 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.015 ' CD2' ' HB2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -72.34 128.93 37.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.551 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 p -155.39 65.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.4 -7.52 0.15 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.517 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . 84.43 -27.07 4.8 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.67 82.25 6.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.987 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.975 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 -48.07 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.542 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 143.67 -120.69 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.648 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -114.26 -44.91 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.612 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.5 m-20 -61.92 128.88 38.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.905 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.2 OUTLIER -146.98 150.95 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.9 HG12 ' HB ' ' A' ' 61' ' ' ILE . 2.0 m -113.2 157.51 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.231 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 80.5 t -140.01 83.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 1.029 ' O ' ' N ' ' A' ' 57' ' ' TYR . 11.5 p90 -94.23 -166.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.127 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -129.68 -166.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.66 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 5.3 tt0 -89.22 18.67 4.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.785 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -109.85 -25.48 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.733 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 109.32 20.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.727 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 49.6 mt-30 -104.66 118.51 36.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.13 ' CD1' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -100.7 133.17 45.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.89 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -143.53 -16.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 1.231 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -74.37 45.69 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.179 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.6 t -76.05 33.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.893 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -67.16 174.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.669 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -164.54 154.6 14.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.648 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 11.6 m170 -75.6 10.82 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.41 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.371 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.85 42.37 0.05 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.743 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -62.13 -6.51 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.4 t 99.63 47.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.046 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.416 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 119.58 -131.46 8.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.502 ' ND2' ' CE1' ' A' ' 92' ' ' HIS . 2.8 t-20 -96.61 10.73 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.743 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -70.54 168.08 17.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.893 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.7 m-85 -120.49 164.93 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.698 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.0 m -162.25 124.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 2.2 pt-20 -52.12 122.52 8.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.383 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -49.93 179.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 5' ' ' THR . 82.6 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.529 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -118.18 60.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 108.35 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' CYS . 1.2 m-20 -38.36 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.276 ' CE2' HG21 ' A' ' 16' ' ' VAL . 92.2 m-85 -139.56 113.28 8.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.127 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -120.55 105.58 10.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.075 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 11.7 m -79.2 62.58 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 108.264 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.22 -49.04 4.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -151.98 49.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.74 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -126.53 -167.5 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 40.1 t -172.91 75.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.819 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.1 m-85 -88.06 50.5 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.802 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -27.9 151.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . 55.1 p -38.86 -22.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' SER . 32.0 t -82.62 -25.3 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.819 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -86.3 -18.54 31.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.276 HG21 ' CE2' ' A' ' 4' ' ' TYR . 55.4 t -80.72 -70.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.4 t -37.87 -45.9 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.59 1.181 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -55.22 18.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.433 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.516 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.86 -44.0 94.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.064 ' OE1' ' HB3' ' A' ' 80' ' ' PHE . 2.4 mt-30 -58.28 -56.1 26.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -34.28 -30.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.058 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -87.25 -49.32 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.99 -44.97 96.59 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.596 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -70.56 -61.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.009 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 10.6 tptt -37.96 -60.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.93 HD22 ' CG1' ' A' ' 33' ' ' VAL . 2.2 tp -58.52 -35.89 72.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 67.7 t60 -66.02 -50.62 63.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.98 -26.98 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.403 1.064 . . . . 0.0 110.388 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.48 -16.6 32.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.47 21.72 71.9 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 66.3 mm-40 -98.74 173.62 6.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.425 0.72 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.882 ' HA ' HD21 ' A' ' 26' ' ' LEU . 20.8 p -127.09 176.76 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.93 ' CG1' HD22 ' A' ' 26' ' ' LEU . 1.3 m -129.38 128.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.34 -149.49 32.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -93.98 -16.66 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.991 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.5 m-20 -77.26 -164.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 39' ' ' PRO . 19.5 p -125.21 47.28 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.7 m-85 -100.46 143.43 26.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.838 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 -167.29 5.53 Favored 'Cis proline' 0 C--N 1.358 1.069 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.001 0.001 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 30.2 p80 176.57 172.45 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.506 ' HG3' ' H ' ' A' ' 43' ' ' ASN . 2.0 tppm? -52.49 161.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.912 ' CD1' HG11 ' A' ' 79' ' ' VAL . 5.7 t80 -152.81 10.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -10.86 87.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.746 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -47.72 169.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.746 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.2 -43.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.59 -20.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 115.9 55.54 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.757 ' CE1' HG22 ' A' ' 90' ' ' ILE . 79.7 m-85 -101.27 131.71 47.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.27 60.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.648 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 18.3 m-30 -58.9 107.77 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -61.98 3.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 87' ' ' ALA . 10.0 m -110.47 154.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.171 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 35.1 m -86.57 172.85 9.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.848 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -91.83 169.79 10.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.59 1.182 . . . . 0.0 110.039 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.848 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -74.96 156.51 99.91 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.98 -0.03 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.641 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 21.2 m-85 -96.54 132.95 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.093 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.896 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.1 m-30 -114.55 118.03 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.649 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -81.79 142.67 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.99 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.4 t-105 -162.8 145.82 8.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.99 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.11 141.22 26.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.087 HD12 HG11 ' A' ' 78' ' ' VAL . 9.5 tt -110.55 115.29 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 68' ' ' TYR . 73.1 mt -87.04 122.51 30.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 p -58.72 -13.4 5.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.21 -12.55 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.25 39.32 31.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.0 -173.85 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.058 HG22 ' HB2' ' A' ' 22' ' ' ALA . 44.4 t -108.38 108.12 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.776 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 20.6 t80 -44.44 167.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.703 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.1 p -98.04 -43.16 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.705 ' CA ' ' CE2' ' A' ' 68' ' ' TYR . . . 131.98 149.9 6.45 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.595 ' O ' ' HD3' ' A' ' 73' ' ' PRO . . . 99.47 -105.85 3.1 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.715 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 50.5 p -107.45 91.13 6.63 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.554 0.797 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.776 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 -26.22 11.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.791 ' N ' HH12 ' A' ' 77' ' ' ARG . . . 143.57 -107.5 0.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.596 1.185 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . . . -135.78 -45.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -63.91 127.34 30.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.791 HH12 ' N ' ' A' ' 74' ' ' GLY . 13.4 mmt-85 -143.66 145.48 32.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.087 HG11 HD12 ' A' ' 61' ' ' ILE . 28.7 m -113.8 147.32 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.408 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.4 t -131.91 91.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.39 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 1.064 ' HB3' ' OE1' ' A' ' 20' ' ' GLN . 14.6 p90 -99.64 -158.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.171 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -136.0 -161.87 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER -92.89 11.86 25.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.328 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.088 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -102.73 -23.45 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.723 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 104.77 20.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.088 HE21 ' ND2' ' A' ' 83' ' ' ASN . 26.1 mt-30 -105.85 124.54 49.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.093 HD13 HG13 ' A' ' 16' ' ' VAL . 1.1 tt -92.57 153.21 19.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.707 ' CB ' HG22 ' A' ' 52' ' ' VAL . . . -160.58 -37.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 1.408 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -70.65 49.72 0.82 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.2 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -80.25 31.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.931 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -63.04 178.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.681 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -163.38 152.79 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.673 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . 11.2 m170 -75.49 5.01 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -43.09 87.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.39 39.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.936 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -70.24 79.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.36 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.433 ' CB ' HD22 ' A' ' 99' ' ' ASN . 1.7 t 44.95 18.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 95' ' ' ALA . . . 126.26 -112.44 1.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.591 ' ND2' ' CE1' ' A' ' 92' ' ' HIS . 2.7 t-20 -96.9 1.8 50.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.936 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -61.94 164.7 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.227 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.931 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.1 m-85 -112.55 156.55 22.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 34.4 m -159.59 126.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.49 ' C ' ' N ' ' A' ' 104' ' ' THR . 0.1 OUTLIER -46.37 125.37 6.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.127 ' O ' ' O ' ' A' ' 5' ' ' THR . 52.6 m -55.49 -10.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.929 ' OG1' ' O ' ' A' ' 103' ' ' CYS . 18.3 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.402 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.517 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -120.73 59.34 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -39.97 -28.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.19 ' CE2' HG21 ' A' ' 16' ' ' VAL . 90.7 m-85 -139.48 112.27 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.714 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 2.2 m -123.76 105.84 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.4 m -81.03 65.34 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.11 -56.21 4.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.7 p -146.46 48.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 0.794 . . . . 0.0 110.069 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.784 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.45 -168.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 44.9 t -172.22 75.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 108.291 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.87 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-85 -88.32 48.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 15' ' ' ASP . 82.8 p -28.12 152.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.009 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.7 p -39.34 -22.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.9 t -82.68 -24.85 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.87 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.51 -22.88 30.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.19 HG21 ' CE2' ' A' ' 4' ' ' TYR . 50.0 t -75.58 -71.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.1 t -36.06 -45.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -53.27 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.761 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.67 -42.64 99.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.801 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.2 mt-30 -56.42 -58.13 9.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.25 -35.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -83.57 -44.23 14.85 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.419 1.075 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.656 ' O ' ' HG3' ' A' ' 39' ' ' PRO . . . -61.89 -44.39 97.91 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -73.51 -62.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.804 . . . . 0.0 111.027 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 29.2 tptp -37.97 -60.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.033 HD23 ' HD3' ' A' ' 39' ' ' PRO . 16.2 tp -59.73 -35.03 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.855 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.4 t60 -65.85 -50.88 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.665 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -56.86 -26.71 59.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.359 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.37 -18.5 29.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.81 24.04 75.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.626 ' HB2' HD12 ' A' ' 26' ' ' LEU . 7.4 mm-40 -102.04 175.45 5.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 0.776 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.653 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 50.6 p -123.82 -168.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.019 HG11 ' HH2' ' A' ' 59' ' ' TRP . 18.8 m -132.59 134.01 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.719 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.38 76.08 0.0 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.825 ' N ' ' O ' ' A' ' 33' ' ' VAL . 24.1 p 174.5 -113.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.714 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.1 m-20 -94.06 -164.8 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.543 ' HA ' HG21 ' A' ' 32' ' ' THR . 9.3 p -87.54 33.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.714 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.1 m-30 -79.69 145.81 63.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 1.033 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.94 -175.71 16.55 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.981 -0.078 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 22.5 p80 177.28 170.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.647 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 3.5 ttpt -46.53 165.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.426 1.079 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.7 ' O ' ' C ' ' A' ' 43' ' ' ASN . 29.4 t80 -150.31 11.32 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.7 ' C ' ' O ' ' A' ' 42' ' ' TYR . 5.9 m-80 -6.72 80.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.684 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -51.76 160.1 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.684 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -162.38 -43.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.678 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 12.2 mt-10 -40.15 -22.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 113.4 57.26 0.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 111.065 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.881 ' CE1' HG22 ' A' ' 90' ' ' ILE . 93.6 m-85 -100.34 135.91 41.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.8 58.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.3 m-30 -56.63 117.08 3.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -63.01 -0.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.639 HG22 ' CB ' ' A' ' 87' ' ' ALA . 15.8 m -110.45 150.45 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.007 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 33.7 t -88.3 168.38 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 110.055 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.796 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -75.98 166.87 41.65 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.796 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.07 160.09 96.99 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 0.097 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.772 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 17.0 m-30 -105.54 123.85 48.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.928 ' N ' ' O ' ' A' ' 80' ' ' PHE . 18.9 m-30 -107.39 120.44 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.673 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.4 pp20? -78.16 137.92 38.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.019 ' HH2' HG11 ' A' ' 33' ' ' VAL . 62.8 t-105 -165.19 140.01 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 107.976 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.11 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 155.7 42.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.931 HD12 HG11 ' A' ' 78' ' ' VAL . 14.5 tt -121.18 122.92 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.824 HD13 ' HB2' ' A' ' 66' ' ' ASP . 17.6 mt -92.18 122.58 34.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -66.83 -4.94 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.94 -13.75 28.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 37.3 13.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.824 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.1 m-20 -108.83 -169.3 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 6.7 t -119.49 106.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.11 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 17.9 t80 -42.7 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 p -96.24 -52.64 3.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -71.05 -148.69 0.54 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.742 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -135.74 34.62 2.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.525 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 5.6 p -133.84 58.55 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.427 0.722 . . . . 0.0 110.066 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.665 ' CB ' ' CB ' ' A' ' 60' ' ' PRO . 18.4 Cg_endo -75.03 43.15 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 72' ' ' SER . . . 57.29 -93.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -154.26 -29.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.486 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -64.97 131.3 46.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 17.0 mmt-85 -143.53 141.49 30.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.056 ' CB ' HD11 ' A' ' 86' ' ' LEU . 5.5 m -113.53 150.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.39 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.292 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 92.5 t -130.97 116.75 35.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.7 p90 -122.28 -155.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.007 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -139.38 -165.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.676 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 7.7 tt0 -90.31 6.59 42.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.093 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -97.5 -24.08 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.724 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 107.01 20.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.093 HE21 ' ND2' ' A' ' 83' ' ' ASN . 30.3 mt-30 -105.04 112.52 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.056 HD11 ' CB ' ' A' ' 78' ' ' VAL . 2.0 tt -98.5 149.88 22.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.041 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -157.38 -40.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 1.292 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.35 55.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.178 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -82.14 35.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.887 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -66.99 176.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.653 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -165.32 152.57 10.7 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.818 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 12.5 m-70 -74.89 11.88 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.93 88.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.439 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 30.33 42.61 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.667 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -60.63 -9.19 3.53 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.4 t 99.62 47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.0 -131.16 8.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.058 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 98' ' ' ASN . 3.9 t-20 -95.9 5.89 50.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.239 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.667 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -68.22 162.76 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.887 ' CD1' HG13 ' A' ' 90' ' ' ILE . 19.0 m-85 -116.63 166.93 11.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.727 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 35.1 m -161.86 125.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -54.57 123.36 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.405 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 95.4 m -50.0 177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.451 ' C ' ' H ' ' A' ' 5' ' ' THR . 70.8 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.495 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -34.23 127.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.27 -179.939 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -128.08 -7.23 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.763 ' CB ' HG21 ' A' ' 89' ' ' VAL . 78.0 m-85 -134.57 87.52 2.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 9' ' ' ASN . 19.6 m -97.22 103.93 15.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 14.1 m -81.45 64.67 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.86 -54.79 0.99 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.42 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 10.2 p -131.69 54.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.035 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.728 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.1 m-80 -142.2 -175.31 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.489 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.38 60.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 108.253 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.687 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -128.78 96.82 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 15.2 p -62.09 177.97 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -17.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' SER . 35.1 t -81.98 -29.95 31.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.685 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.2 -40.14 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.004 HG11 HD12 ' A' ' 86' ' ' LEU . 91.1 t -58.23 -46.34 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.539 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 35.8 t -36.21 -50.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.01 -51.98 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' HG13 ' A' ' 61' ' ' ILE . . . -59.47 -42.13 91.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.539 ' OE1' ' HA ' ' A' ' 17' ' ' SER . 9.5 mt-30 -59.92 -55.14 37.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.02 -40.66 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.961 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -61.42 -62.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -58.77 -41.57 96.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.434 1.084 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.156 ' CE1' ' HA ' ' A' ' 83' ' ' ASN . 1.6 m-85 -54.73 -60.73 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 111.059 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -43.07 -50.22 6.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.049 HD22 HG13 ' A' ' 33' ' ' VAL . 10.5 tp -65.28 -34.16 77.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.783 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 54.9 t60 -65.93 -50.8 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.57 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.22 -25.1 30.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -92.8 -21.85 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.19 30.14 57.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.546 ' HB2' HD12 ' A' ' 26' ' ' LEU . 59.1 mm-40 -109.13 -178.7 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.93 ' HA ' HD21 ' A' ' 26' ' ' LEU . 27.8 p -120.9 -178.04 3.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.049 HG13 HD22 ' A' ' 26' ' ' LEU . 27.6 m -123.15 118.44 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.673 ' C ' ' O ' ' A' ' 33' ' ' VAL . . . -2.95 62.25 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 33' ' ' VAL . 79.2 p 176.35 -148.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.726 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 29.5 m-20 -52.16 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.53 ' O ' ' O ' ' A' ' 39' ' ' PRO . 66.5 p -91.75 35.08 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.726 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -80.66 143.33 54.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 1.004 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 -179.83 28.07 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.985 0.004 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.586 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.7 p80 -170.11 169.01 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.498 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 23.6 ttpt -51.43 166.31 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.739 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -159.27 -24.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.871 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 11.7 m-80 49.5 -104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.871 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 2.6 p-10 152.16 178.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 167.78 -45.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.936 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.62 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.1 -18.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 110.74 54.58 0.53 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.831 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.4 m-85 -97.33 134.49 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 0.746 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 67.05 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.828 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 15.7 m-30 -70.71 105.52 3.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.0 p -73.72 24.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.074 HG21 ' O ' ' A' ' 85' ' ' GLN . 30.5 m -129.92 161.22 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.681 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 4.6 m -93.33 154.46 17.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.826 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -69.72 171.4 7.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.826 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.0 Cg_endo -75.07 151.35 96.71 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.951 0.081 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.584 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 17.3 m-85 -90.53 112.67 24.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.847 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 13.5 m-30 -95.3 136.0 36.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.64 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -98.29 147.07 25.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.977 ' HH2' HG11 ' A' ' 33' ' ' VAL . 52.2 t-105 -164.32 146.41 7.13 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.936 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.04 153.05 41.29 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.538 1.809 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.613 ' CD1' HG22 ' A' ' 16' ' ' VAL . 13.4 tt -121.3 115.96 48.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.896 HD13 ' HB2' ' A' ' 66' ' ' ASP . 13.5 mt -88.1 119.07 28.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -3.99 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -92.51 -14.38 28.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.31 37.0 11.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.896 ' HB2' HD13 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -107.02 -169.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.961 HG22 ' HB2' ' A' ' 22' ' ' ALA . 3.5 t -126.33 103.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.936 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 25.5 t80 -45.3 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 34' ' ' GLY . 26.2 p -89.16 -38.19 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.665 ' O ' ' CE1' ' A' ' 68' ' ' TYR . . . -84.72 -150.81 12.49 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.725 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -124.76 25.41 5.88 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 p -125.83 66.73 58.35 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.707 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.7 Cg_endo -74.9 -92.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 158.09 169.11 21.31 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.65 -45.92 7.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.577 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 18.1 m-20 -60.25 127.96 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.707 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -147.24 150.78 35.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.746 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -117.77 141.36 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.117 ' O ' ' N ' ' A' ' 87' ' ' ALA . 69.3 t -125.45 129.84 72.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 1.027 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 3.8 p90 -132.57 -160.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.363 HD21 ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -149.32 -121.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 1.178 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 51.1 tt0 -33.18 -95.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.156 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -158.71 85.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.8 ' N ' ' CZ ' ' A' ' 24' ' ' TYR . 1.9 p30 111.91 17.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.363 ' CG ' HD21 ' A' ' 81' ' ' ASN . 6.6 mm-40 -109.67 47.88 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.218 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.099 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.9 134.49 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.37 -44.87 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.98 -133.0 2.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.98 HG12 ' SG ' ' A' ' 103' ' ' CYS . 78.5 t -150.74 89.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.831 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.1 pt -83.8 164.76 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.708 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.39 153.14 17.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.619 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.5 m170 -77.11 20.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.54 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.504 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -74.07 120.84 20.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 110.367 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' THR . . . 31.45 42.65 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.103 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.494 ' C ' ' ND2' ' A' ' 99' ' ' ASN . . . -74.64 -20.88 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.519 ' C ' HD21 ' A' ' 99' ' ' ASN . 3.9 t 83.56 45.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.61 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 128.06 -134.66 8.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.7 t-20 -95.87 4.63 52.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.727 ' ND2' ' H ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.11 -177.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.699 ' O ' HG13 ' A' ' 101' ' ' VAL . 27.7 m-85 -132.89 167.48 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 100' ' ' PHE . 31.2 m -162.19 134.94 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -58.53 125.4 23.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 61.9 m -55.25 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 179.983 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.625 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -128.88 58.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -36.95 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.163 ' CE2' HG21 ' A' ' 16' ' ' VAL . 89.7 m-85 -135.25 125.37 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.071 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.716 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.7 m -133.56 104.55 6.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.8 m -80.17 64.61 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.61 -52.01 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -150.01 48.35 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.744 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -123.61 -168.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 48.9 t -171.78 75.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 108.287 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.922 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 20.1 m-85 -87.62 43.53 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.831 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -24.63 149.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.006 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' SER . 6.5 p -38.38 -22.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.999 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.5 t -83.22 -23.04 32.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.922 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -84.71 -32.5 23.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.398 1.061 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.163 HG21 ' CE2' ' A' ' 4' ' ' TYR . 35.1 t -62.61 -66.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.486 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 33.8 t -42.41 -52.77 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.063 . . . . 0.0 110.009 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -51.57 10.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.703 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -43.66 96.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.722 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 2.9 mt-30 -57.2 -58.67 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -32.39 -37.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.103 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.67 -55.25 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -62.07 -42.99 99.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.677 ' OH ' ' O ' ' A' ' 82' ' ' GLU . 5.7 t80 -67.3 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 18.4 tptt -40.58 -62.37 0.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.979 HD22 HG13 ' A' ' 33' ' ' VAL . 4.0 tp -57.14 -33.21 67.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.857 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 73.2 t60 -67.92 -52.51 35.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.636 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.604 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -55.21 -27.21 44.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.75 -16.85 31.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.94 23.78 75.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.9 mm-40 -102.0 179.86 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 0.718 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.939 ' HA ' HD21 ' A' ' 26' ' ' LEU . 23.9 p -126.51 170.22 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.469 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.979 HG13 HD22 ' A' ' 26' ' ' LEU . 16.9 m -116.01 121.64 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.56 ' HA3' ' HA3' ' A' ' 70' ' ' GLY . . . 80.2 -142.59 24.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m -97.72 -20.3 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 0.719 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.612 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.6 m-20 -69.94 -165.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 39' ' ' PRO . 18.8 p -125.48 46.74 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.5 m-85 -102.91 145.78 31.19 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.914 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 -161.54 2.51 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.044 -0.105 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.764 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 24.1 p80 175.58 161.99 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.542 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.5 OUTLIER -41.9 163.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.744 ' CD1' HG11 ' A' ' 79' ' ' VAL . 44.1 t80 -147.17 10.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -7.71 82.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.74 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.6 p-10 -52.96 162.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.74 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -168.63 -38.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -17.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.235 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 107.75 51.79 0.73 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.659 ' CE2' ' OH ' ' A' ' 42' ' ' TYR . 27.2 m-85 -97.19 137.54 36.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.04 57.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.6 m-30 -53.79 120.34 6.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.2 p -61.52 -1.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.662 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 14.7 m -108.99 150.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.213 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.1 m -85.11 179.36 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 110.02 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.764 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 12.9 p -87.07 164.25 36.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.781 ' O ' ' HB3' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -75.03 175.2 48.93 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.946 -2.523 . . . . 0.0 111.04 0.021 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.826 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 11.8 m-30 -116.77 125.29 51.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.929 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.7 m-30 -111.09 119.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.764 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -77.16 139.06 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.855 ' CH2' HG11 ' A' ' 33' ' ' VAL . 63.5 t-105 -159.57 139.6 8.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.017 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.0 138.11 22.62 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.896 HD12 HG11 ' A' ' 78' ' ' VAL . 11.1 tt -107.72 111.3 35.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt -88.52 116.79 27.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.22 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 t -58.88 -14.72 9.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.002 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -18.22 56.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.36 38.25 11.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -109.98 -175.67 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.103 HG22 ' HB2' ' A' ' 22' ' ' ALA . 8.9 t -115.25 100.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.085 ' OH ' ' N ' ' A' ' 71' ' ' GLY . 17.6 t80 -36.14 127.96 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 10.5 p -109.94 45.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.731 ' C ' ' CE1' ' A' ' 68' ' ' TYR . . . 76.74 141.27 1.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.573 1.171 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 1.085 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 154.24 -145.31 12.45 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.606 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -130.27 53.0 10.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.865 ' HG3' ' CD1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.92 45.87 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 111.101 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -58.02 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.697 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . -19.49 -56.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 74' ' ' GLY . 92.3 m-20 -122.9 114.63 20.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -138.7 144.73 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.068 ' CB ' HD21 ' A' ' 86' ' ' LEU . 4.4 m -118.01 150.53 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.272 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 86.3 t -129.58 118.78 46.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.929 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.3 p90 -127.01 -157.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.213 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -139.64 -168.99 2.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.748 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 1.2 tp10 -89.45 21.55 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.082 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -112.57 -20.23 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.707 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 103.3 21.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.082 HE21 ' ND2' ' A' ' 83' ' ' ASN . 27.8 mt-30 -107.92 105.31 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.108 HD23 HG13 ' A' ' 16' ' ' VAL . 3.1 tp -99.43 141.74 31.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -146.97 -45.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 1.272 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -44.31 54.68 0.0 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.08 HG11 ' HB3' ' A' ' 4' ' ' TYR . 52.9 t -84.57 40.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 0.776 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.842 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -70.38 172.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.794 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.84 163.39 32.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.586 ' HB2' ' HA ' ' A' ' 75' ' ' ALA . 13.1 m170 -84.16 -10.69 57.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 109.599 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -35.58 97.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' SER . . . 38.39 37.05 0.46 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.101 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -67.56 61.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.3 OUTLIER 34.46 30.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 110.056 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.0 -125.23 4.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.634 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -98.75 2.92 47.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.391 0.701 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 1.101 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -62.47 172.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.842 ' CD1' HG13 ' A' ' 90' ' ' ILE . 14.2 m-85 -119.31 158.8 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 27.1 m -160.07 123.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.415 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -49.99 123.77 8.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.386 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 83.1 m -50.88 173.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 108.344 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.8 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.525 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -119.95 57.02 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 108.264 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -37.71 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.213 ' CE2' HG21 ' A' ' 16' ' ' VAL . 91.4 m-85 -137.9 115.41 11.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.694 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.5 m -124.9 107.01 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 18.8 m -82.14 64.71 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.94 -54.98 4.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.544 1.152 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.427 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.9 p -146.49 48.14 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.978 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.745 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -124.4 -169.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t -171.76 73.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.88 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 14.8 m-85 -86.07 46.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.81 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -27.15 151.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' SER . 7.4 p -38.67 -22.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.579 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.2 t -83.02 -25.18 32.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.88 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -84.17 -26.25 28.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.213 HG21 ' CE2' ' A' ' 4' ' ' TYR . 47.6 t -71.46 -70.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.438 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.4 t -38.26 -49.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -51.15 35.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -62.04 -44.59 96.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.775 ' OE1' HG12 ' A' ' 16' ' ' VAL . 10.7 mt-30 -56.27 -58.32 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -33.53 -39.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.958 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -71.35 -59.54 2.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -59.87 -39.3 95.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.611 ' OH ' ' C ' ' A' ' 82' ' ' GLU . 1.3 t80 -68.48 -61.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 11.5 tptp -38.41 -59.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 33' ' ' VAL . 1.9 tp -59.87 -34.86 73.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.797 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 72.3 t60 -66.6 -50.7 62.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -57.22 -26.83 61.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.23 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.01 -17.23 29.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.38 22.82 72.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.1 mm-40 -100.99 179.29 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.99 ' HA ' HD21 ' A' ' 26' ' ' LEU . 82.5 p -125.55 169.5 12.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 26' ' ' LEU . 4.4 m -115.92 128.85 73.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' HA3' ' O ' ' A' ' 69' ' ' SER . . . 72.1 -152.06 48.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -96.41 15.09 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.979 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.6 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 2.1 m-20 -104.9 -165.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.17 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 39' ' ' PRO . 12.7 p -121.06 43.28 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.966 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.6 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.3 m-85 -104.92 142.96 25.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.887 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.07 -162.89 2.93 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.645 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.2 p80 170.61 163.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.529 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -42.36 163.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.788 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 36.8 t80 -146.11 10.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.712 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -4.84 77.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -47.38 160.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -163.78 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.667 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 18.0 mt-10 -41.91 -20.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 110.81 56.48 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.875 ' CE1' HG22 ' A' ' 90' ' ' ILE . 86.5 m-85 -98.57 132.84 43.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 0.801 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 57.98 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.0 m-30 -55.84 114.72 2.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -60.73 -0.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.57 ' CG1' ' HB3' ' A' ' 85' ' ' GLN . 15.9 m -110.98 151.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.208 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 14.6 t -88.07 172.17 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.798 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.0 p -79.85 166.34 41.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.798 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.3 Cg_endo -75.0 162.1 93.54 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.033 0.024 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.595 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 17.1 m-30 -107.93 128.21 54.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.8 m-30 -111.81 113.69 26.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.788 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 7.8 pt-20 -77.27 137.1 38.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 58.5 t-105 -155.55 140.59 12.22 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.046 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.742 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.789 HD12 HG11 ' A' ' 78' ' ' VAL . 8.4 tt -103.72 112.35 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 mt -88.06 117.42 26.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.229 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -13.27 10.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.939 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -79.82 -17.41 53.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.22 37.76 12.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.99 -175.15 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.958 HG22 ' HB2' ' A' ' 22' ' ' ALA . 16.6 t -115.71 102.02 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.046 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 23.5 t80 -36.72 126.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.544 ' O ' ' HA3' ' A' ' 34' ' ' GLY . 60.3 p -100.72 45.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.048 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.696 ' HA2' ' CE2' ' A' ' 68' ' ' TYR . . . 65.52 154.73 0.21 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.619 1.2 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 1.04 ' N ' ' OH ' ' A' ' 68' ' ' TYR . . . 136.78 -140.62 11.61 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 74' ' ' GLY . 1.3 m -124.89 73.65 64.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.408 0.711 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.755 ' HG3' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.96 41.32 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.783 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -59.25 114.54 6.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.797 ' O ' ' CB ' ' A' ' 91' ' ' THR . . . 149.03 -64.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.51 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 10.2 m-20 -122.83 118.46 28.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.713 ' O ' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -141.45 142.64 33.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.002 ' CB ' HD11 ' A' ' 86' ' ' LEU . 9.3 m -114.29 148.0 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.317 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 71.8 t -128.95 110.7 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 10.3 p90 -120.33 -169.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.208 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -127.95 -171.02 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.703 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 2.9 tt0 -88.7 17.48 5.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.866 HD21 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -106.47 -19.35 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.713 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 102.48 25.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.745 HE21 ' ND2' ' A' ' 83' ' ' ASN . 44.4 mt-30 -113.82 117.16 30.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.037 HD13 HG13 ' A' ' 16' ' ' VAL . 1.5 tt -102.74 146.5 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.952 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -152.18 -38.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 1.317 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -53.27 54.46 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.196 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.4 t -83.88 34.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.875 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -64.67 174.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.797 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.9 148.39 10.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.417 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.629 ' O ' ' N ' ' A' ' 94' ' ' GLY . 12.9 m-70 -70.55 1.41 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.575 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -29.75 88.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.388 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.629 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.54 39.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.751 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -52.56 171.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.814 ' N ' HD21 ' A' ' 99' ' ' ASN . 13.0 t -62.82 8.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 152.3 -121.67 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.4 t-20 -92.85 1.49 57.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.814 HD21 ' N ' ' A' ' 96' ' ' SER . 7.1 p30 -66.31 -165.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.862 ' CD1' HG13 ' A' ' 90' ' ' ILE . 40.4 m-85 -139.79 171.33 14.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.716 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 27.8 m -160.79 125.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.535 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 1.4 pt-20 -55.08 123.57 14.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.44 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 96.3 m -51.09 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 108.242 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.435 ' C ' ' H ' ' A' ' 5' ' ' THR . 68.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.667 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -105.72 61.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 108.284 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -41.26 -28.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.056 ' CE2' HG21 ' A' ' 16' ' ' VAL . 69.4 m-85 -139.9 110.38 6.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.566 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.4 m -118.6 103.43 9.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 24.9 m -78.7 67.79 4.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.58 -47.05 3.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -160.99 48.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.831 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.8 -166.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.667 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 47.7 t -171.8 76.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.897 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 13.5 m-85 -90.98 47.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.825 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -25.13 149.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.7 p -38.24 -24.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 12' ' ' SER . 29.2 t -82.07 -24.49 35.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.897 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -82.36 -28.92 31.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.1 HG12 ' OE1' ' A' ' 20' ' ' GLN . 69.1 t -76.24 -66.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.474 ' N ' ' OE1' ' A' ' 20' ' ' GLN . 39.7 t -37.81 -49.62 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -52.44 53.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.561 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.85 -43.4 98.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.1 ' OE1' HG12 ' A' ' 16' ' ' VAL . 7.6 mt-30 -59.44 -55.16 38.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -34.01 -38.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.896 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.07 -53.04 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.635 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.46 -39.84 37.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.795 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 5.8 t80 -75.1 -73.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.41 -50.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 -179.955 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.944 HD21 HG13 ' A' ' 33' ' ' VAL . 56.6 tp -67.42 -36.88 82.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.837 ' CD2' ' CE2' ' A' ' 57' ' ' TYR . 9.8 t60 -64.55 -45.19 88.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.653 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -66.06 -25.46 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 55.3 m-20 -80.86 -22.16 40.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.21 78.46 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 26' ' ' LEU . 4.0 mm-40 -97.12 178.3 5.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 62.5 p -132.09 176.42 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.944 HG13 HD21 ' A' ' 26' ' ' LEU . 3.4 m -134.98 152.98 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.81 -154.94 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -97.75 45.78 1.02 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.638 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.4 m-20 -139.74 -166.63 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 39' ' ' PRO . 4.5 p -118.68 38.52 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.638 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.2 m-85 -93.27 147.14 33.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.803 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 -170.57 8.39 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.033 -0.03 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.628 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 26.5 p80 178.26 170.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 4.3 ttmt -50.47 169.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.709 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 17.7 t80 -153.06 11.92 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.4 m-80 -6.42 85.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.772 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p-10 -53.3 167.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.772 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -177.0 -43.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.52 -20.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 114.95 57.28 0.36 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.745 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 84.1 m-85 -101.17 139.36 36.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.84 75.87 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.214 -179.884 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 1.139 ' CD2' ' HB1' ' A' ' 87' ' ' ALA . 17.8 m-30 -80.71 120.2 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.5 p -81.02 22.32 0.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.984 HG21 ' O ' ' A' ' 85' ' ' GLN . 34.3 m -127.53 156.87 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.716 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -94.75 142.88 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.807 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.4 p -52.54 169.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.855 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.7 Cg_endo -74.95 152.43 98.21 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.065 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' TYR . 23.3 m-85 -92.45 110.87 22.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.007 ' N ' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-30 -94.96 129.46 42.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.647 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 2.0 pp20? -92.95 141.03 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.911 ' O ' ' N ' ' A' ' 78' ' ' VAL . 59.3 t-105 -162.07 138.97 6.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.177 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 154.53 42.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.494 1.786 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.575 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 18.1 tt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 68' ' ' TYR . 90.9 mt -94.21 120.48 34.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.2 t -59.57 -12.52 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.27 -16.93 41.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.942 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.42 35.71 13.76 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.28 -171.83 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.896 HG22 ' HB2' ' A' ' 22' ' ' ALA . 5.3 t -109.03 107.33 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.177 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 1.1 t80 -43.39 93.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.492 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 78.3 p -123.46 48.2 1.88 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.944 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.87 -52.42 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 102.75 24.99 7.84 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.63 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.45 52.52 2.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.041 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.63 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.0 -56.08 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.793 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 27.72 87.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.985 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 147.11 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.782 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 2.0 m-20 -70.26 134.05 47.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 1.011 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -155.02 131.01 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -102.12 130.85 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.107 ' O ' ' N ' ' A' ' 87' ' ' ALA . 81.9 t -110.78 131.65 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.391 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 1.007 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.1 p90 -142.33 -176.08 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.265 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -128.8 -117.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.93 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 1.265 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 47.1 tt0 -29.74 -56.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.795 ' HB3' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -171.81 -89.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.499 ' N ' HD22 ' A' ' 83' ' ' ASN . 7.1 p30 -79.66 18.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.255 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 41.0 mm-40 -90.04 45.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.069 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.08 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -37.46 137.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.139 ' HB1' ' CD2' ' A' ' 50' ' ' PHE . . . -87.02 -33.64 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.621 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 169.01 -146.77 10.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.918 HG21 ' CG ' ' A' ' 4' ' ' TYR . 24.6 t -143.32 88.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.807 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.809 HD13 ' CG2' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -82.16 161.97 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.985 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -157.15 150.89 24.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.585 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.9 m170 -74.16 -5.93 44.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.0 OUTLIER -34.16 94.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 29.8 42.82 0.05 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.571 1.17 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.635 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -62.98 -10.29 13.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 0.838 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.4 t 97.65 46.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.21 -131.03 8.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.9 t-20 -96.14 5.31 51.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 0.738 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.614 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -67.28 169.96 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.362 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.742 ' O ' HG13 ' A' ' 101' ' ' VAL . 28.6 m-85 -121.76 167.69 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 100' ' ' PHE . 29.4 m -162.71 132.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.3 OUTLIER -59.33 123.17 15.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 64.3 m -55.7 -166.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 110.365 -179.97 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.503 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -116.74 61.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.13 -27.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.246 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.0 m-85 -139.74 113.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.15 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.9 OUTLIER -123.08 104.93 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.049 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.5 m -79.34 62.99 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.37 -49.61 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.0 p -152.82 48.8 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.781 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -125.0 -166.78 1.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.167 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 39.4 t -172.76 76.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.294 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.846 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 16.5 m-85 -90.05 51.92 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.793 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -29.75 152.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -39.11 -22.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.575 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.6 t -83.07 -25.25 32.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.846 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -84.36 -22.73 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.246 HG21 ' CE2' ' A' ' 4' ' ' TYR . 41.9 t -76.56 -70.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' VAL . 33.0 t -37.4 -45.91 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.15 -54.3 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.819 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -60.51 -44.1 96.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.807 ' OE1' HG12 ' A' ' 16' ' ' VAL . 6.9 mt-30 -55.75 -57.16 13.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -33.73 -33.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.924 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -86.02 -47.02 9.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.27 -43.71 98.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -72.27 -65.03 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 110.978 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -38.33 -56.89 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.949 HD11 ' C ' ' A' ' 31' ' ' GLU . 13.9 tp -61.68 -36.66 81.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.849 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 27.9 t60 -64.06 -48.02 77.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.165 . . . . 0.0 109.652 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -61.87 -24.55 67.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -86.31 -20.26 28.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.33 23.05 78.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.949 ' C ' HD11 ' A' ' 26' ' ' LEU . 20.3 mm-40 -102.11 178.59 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 110.195 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 3.7 p -126.47 -171.76 2.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.952 HG11 ' HH2' ' A' ' 59' ' ' TRP . 28.1 m -133.42 131.02 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.827 ' O ' ' HA2' ' A' ' 70' ' ' GLY . . . -24.71 79.88 0.0 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.878 ' HB2' ' N ' ' A' ' 71' ' ' GLY . 43.1 t 178.17 -94.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.716 ' CB ' ' CE1' ' A' ' 38' ' ' TYR . 52.2 m-20 -121.91 -162.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . 8.6 p -83.93 31.69 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.716 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -82.9 146.06 51.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HG3' ' HA2' ' A' ' 23' ' ' GLY . 18.5 Cg_endo -75.0 179.85 29.2 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.005 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.664 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 26.2 p80 -179.52 167.56 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.57 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -43.46 166.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.726 ' CD2' HG11 ' A' ' 79' ' ' VAL . 31.4 t80 -148.21 11.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.699 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -3.48 85.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.191 . . . . 0.0 109.36 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.743 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p-10 -60.54 166.72 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -170.02 -43.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.643 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 16.8 mt-10 -39.37 -23.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 112.22 58.73 0.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.876 ' CE1' HG22 ' A' ' 90' ' ' ILE . 86.9 m-85 -101.29 134.39 44.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 0.767 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.63 58.19 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 22.1 m-30 -56.35 112.33 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.7 p -60.44 0.22 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.9 m -110.58 150.78 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.953 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 74.2 m -86.83 171.09 11.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.766 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 8.9 p -79.23 164.82 52.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.766 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 18.4 Cg_endo -75.02 171.03 70.18 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.991 0.023 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.745 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 16.9 m-30 -115.08 126.2 54.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.939 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.2 m-30 -110.21 119.8 40.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.664 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.7 pt-20 -78.53 139.56 38.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.952 ' HH2' HG11 ' A' ' 33' ' ' VAL . 58.1 t-105 -164.72 139.77 4.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.031 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 148.44 35.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.916 HD12 HG11 ' A' ' 78' ' ' VAL . 10.9 tt -114.0 130.56 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.835 HD13 ' HB2' ' A' ' 66' ' ' ASP . 20.1 mt -99.51 120.65 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -69.45 0.53 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -96.9 -13.32 22.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.67 40.06 9.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.4 m-20 -114.18 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.924 HG22 ' HB2' ' A' ' 22' ' ' ALA . 3.9 t -122.47 106.7 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.031 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -44.83 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.64 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 83.3 p -97.09 -5.65 36.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.827 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -132.91 148.92 19.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.878 ' N ' ' HB2' ' A' ' 35' ' ' SER . . . -69.94 43.71 0.51 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.671 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 92.7 p -142.34 50.3 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.752 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.2 Cg_endo -75.06 -83.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 165.62 161.25 14.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.778 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -43.42 -33.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.471 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 2.6 m-20 -67.15 124.66 23.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.752 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 1.1 mmt180 -141.26 144.24 34.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.126 ' CB ' HD11 ' A' ' 86' ' ' LEU . 4.1 m -114.52 150.21 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.303 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 98.6 t -132.25 114.09 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.939 ' O ' ' N ' ' A' ' 57' ' ' TYR . 12.5 p90 -119.69 -155.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.953 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -138.83 -163.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.783 ' HB2' ' OH ' ' A' ' 57' ' ' TYR . 55.2 tt0 -92.46 4.93 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.092 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -95.46 -23.22 17.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.722 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 106.38 21.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.092 HE21 ' ND2' ' A' ' 83' ' ' ASN . 34.1 mt-30 -107.51 115.19 29.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.226 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.126 HD11 ' CB ' ' A' ' 78' ' ' VAL . 3.5 tt -99.95 152.74 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' N ' HD23 ' A' ' 86' ' ' LEU . . . -159.52 -42.38 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 1.303 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -51.15 56.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.169 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.5 t -83.47 33.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.902 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.1 OUTLIER -64.39 175.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.778 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -162.94 148.52 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.664 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 8.3 m-70 -74.21 11.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.0 83.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.446 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.6 36.44 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.711 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -51.58 -33.57 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.74 ' N ' HD21 ' A' ' 99' ' ' ASN . 14.7 t 137.05 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.48 -117.85 4.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.2 t-20 -95.39 -7.51 38.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 0.787 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.74 HD21 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -61.88 156.19 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.902 ' CD1' HG13 ' A' ' 90' ' ' ILE . 23.0 m-85 -111.06 169.03 9.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 100' ' ' PHE . 27.7 m -163.79 127.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.515 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -48.37 130.9 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.15 ' O ' ' O ' ' A' ' 5' ' ' THR . 44.9 m -59.51 -7.29 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.286 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.886 HG23 ' C ' ' A' ' 103' ' ' CYS . 2.6 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.526 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -117.1 56.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -39.67 -28.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 1.202 ' CE2' HG21 ' A' ' 16' ' ' VAL . 94.4 m-85 -136.22 114.08 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.698 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 4.9 m -125.78 104.94 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 17.8 m -80.61 66.43 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.351 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.48 -51.7 4.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.6 p -152.55 48.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.049 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.752 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -122.92 -167.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 44.5 t -170.9 74.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.878 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 22.4 m-85 -88.37 45.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.804 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -27.6 151.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' SER . 62.3 p -38.83 -22.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.577 ' N ' ' O ' ' A' ' 12' ' ' SER . 30.6 t -82.3 -24.97 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.878 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.91 -28.11 28.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.075 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.202 HG21 ' CE2' ' A' ' 4' ' ' TYR . 40.8 t -69.51 -67.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.484 ' CA ' ' HG3' ' A' ' 20' ' ' GLN . 6.8 t -40.43 -52.06 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.46 -54.29 7.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.447 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.75 -44.07 90.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.731 ' OE1' HG12 ' A' ' 16' ' ' VAL . 3.3 mt-30 -53.85 -57.37 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 25' ' ' LYS . . . -33.27 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.086 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -85.12 -46.94 10.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 20' ' ' GLN . . . -60.5 -44.22 97.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -74.32 -63.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 110.964 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 5.9 tptm -38.58 -58.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.006 HD23 ' HD3' ' A' ' 39' ' ' PRO . 49.0 tp -60.58 -32.22 71.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.864 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 37.7 t60 -70.49 -52.24 23.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -53.66 -27.88 29.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -84.8 -14.78 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.79 23.66 77.69 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.056 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.548 ' HB2' HD12 ' A' ' 26' ' ' LEU . 6.7 mm-40 -107.43 172.8 6.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 0.789 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p -132.98 163.82 28.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.037 HG11 ' HH2' ' A' ' 59' ' ' TRP . 3.5 m -83.56 123.35 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.954 ' O ' ' HB2' ' A' ' 35' ' ' SER . . . -36.37 105.66 0.03 OUTLIER Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 1.147 ' HB3' ' N ' ' A' ' 71' ' ' GLY . 0.3 OUTLIER 152.22 -64.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.991 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.712 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -126.49 -157.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.575 ' HA ' HG21 ' A' ' 32' ' ' THR . 51.6 p -109.36 37.98 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.065 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.712 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -94.3 145.88 30.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 1.006 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.06 -170.04 7.92 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.952 0.064 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.8 p80 179.17 168.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.0 OUTLIER -51.98 159.26 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.796 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 21.0 t80 -151.58 -64.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 111.06 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.858 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.8 OUTLIER 81.94 -99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.858 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 3.3 p-10 149.82 174.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 178.52 -47.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.676 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt-10 -45.92 -16.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.43 54.06 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.003 ' CE1' HG22 ' A' ' 90' ' ' ILE . 97.3 m-85 -94.37 135.41 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 58.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.712 ' CE1' ' HB3' ' A' ' 48' ' ' PHE . 16.5 m-30 -56.32 109.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.2 p -60.64 0.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.569 HG22 ' CB ' ' A' ' 87' ' ' ALA . 17.8 m -111.94 151.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 1.265 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 49.4 m -88.11 176.56 7.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.718 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 23.1 p -77.74 162.12 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.785 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -74.97 173.73 56.33 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.978 -0.001 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.84 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 12.7 m-30 -119.78 113.84 21.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 21.0 m-30 -102.74 120.88 41.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.698 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -79.91 140.39 36.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.037 ' HH2' HG11 ' A' ' 33' ' ' VAL . 43.5 t-105 -163.01 144.84 7.85 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 107.989 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.97 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.06 143.99 29.5 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.921 HD12 HG11 ' A' ' 78' ' ' VAL . 7.4 tt -110.76 114.92 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 68' ' ' TYR . 98.4 mt -85.82 120.03 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -56.18 -14.57 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -11.83 48.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.34 36.6 38.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -111.21 -172.92 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.086 HG22 ' HB2' ' A' ' 22' ' ' ALA . 53.7 t -108.38 113.75 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.696 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 10.5 t80 -40.11 167.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.053 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.707 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 71.2 p -104.68 -27.44 11.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 110.002 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 1.085 ' C ' ' HB3' ' A' ' 35' ' ' SER . . . 126.48 159.75 10.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 1.147 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . 86.79 -131.55 10.62 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.563 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 1.1 p -90.93 102.34 5.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 109.958 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.879 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.5 Cg_endo -74.95 -10.04 21.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.24 -103.62 0.66 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.701 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -138.25 -47.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 0.715 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.537 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 1.8 m-20 -63.28 128.03 34.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.632 ' HD3' ' HG2' ' A' ' 73' ' ' PRO . 1.5 mmt-85 -143.08 149.61 38.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.087 ' CB ' HD21 ' A' ' 86' ' ' LEU . 3.5 m -119.37 148.49 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.253 ' CB ' ' HA3' ' A' ' 88' ' ' GLY . 85.6 t -131.81 118.05 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 13.4 p90 -123.53 -158.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.265 ' OD1' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -135.15 -167.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 18.5 tt0 -89.43 8.65 29.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.098 ' ND2' HE21 ' A' ' 85' ' ' GLN . 0.0 OUTLIER -98.22 -24.36 15.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.729 ' CB ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 108.72 19.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.098 HE21 ' ND2' ' A' ' 83' ' ' ASN . 29.8 mt-30 -105.7 111.26 23.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.087 HD21 ' CB ' ' A' ' 78' ' ' VAL . 3.7 tp -102.39 143.62 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.065 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . -149.59 -45.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.08 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 1.253 ' HA3' ' CB ' ' A' ' 79' ' ' VAL . . . -39.65 57.44 0.0 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.128 HG21 ' CD1' ' A' ' 4' ' ' TYR . 1.7 t -82.06 35.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.003 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -65.47 173.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.701 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -163.92 153.64 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.663 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 9.6 m170 -75.69 12.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.659 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -50.83 88.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 31.47 42.02 0.08 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.738 ' HB3' HD22 ' A' ' 99' ' ' ASN . . . -60.88 -8.55 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.655 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 4.8 t 100.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.435 ' N ' HD21 ' A' ' 99' ' ' ASN . . . 120.33 -131.89 9.05 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.098 . . . . 0.0 110.949 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.451 HD22 ' CE1' ' A' ' 92' ' ' HIS . 2.7 t-20 -95.89 12.56 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.738 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -73.64 167.26 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.844 ' CD1' HG13 ' A' ' 90' ' ' ILE . 18.8 m-85 -120.27 165.45 14.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 100' ' ' PHE . 34.7 m -162.91 124.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.504 ' N ' ' HE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -52.1 122.31 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.321 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.7 m -49.86 176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 5' ' ' THR . 81.0 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.499 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -35.79 131.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.498 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -130.97 -4.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.774 ' CB ' HG21 ' A' ' 89' ' ' VAL . 79.6 m-85 -137.6 89.36 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.49 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 8.2 m -99.1 103.74 15.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 15.0 m -81.51 65.14 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 108.367 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 -55.19 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.602 1.189 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.407 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 8.3 p -133.08 54.96 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 109.984 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.711 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -141.78 -175.31 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.35 62.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.348 -179.921 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.696 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -130.14 96.8 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 111.016 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 28.3 p -62.87 -177.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.051 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -54.04 -16.16 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -82.4 -29.71 30.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.69 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.83 -40.24 18.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.09 ' CG1' HD13 ' A' ' 86' ' ' LEU . 94.3 t -55.91 -48.52 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.516 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 34.7 t -36.3 -53.62 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -52.15 30.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.361 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -59.16 -41.99 89.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.692 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 11.8 mt-30 -60.44 -56.22 24.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.88 -36.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.922 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -73.27 -54.58 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' CA ' ' HG3' ' A' ' 39' ' ' PRO . . . -52.79 -42.68 59.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.677 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 9.3 t80 -68.82 -66.14 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 0.741 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -33.18 -57.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 33' ' ' VAL . 3.8 tp -62.81 -38.64 91.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.824 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 43.7 t60 -63.08 -48.33 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.654 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -59.67 -28.69 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.25 -16.38 35.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.17 22.98 75.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' HB2' HD12 ' A' ' 26' ' ' LEU . 8.4 mm-40 -100.3 178.51 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.922 ' HA ' HD21 ' A' ' 26' ' ' LEU . 34.6 p -126.21 -177.33 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 26' ' ' LEU . 4.0 m -134.97 125.84 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.569 ' HA3' ' C ' ' A' ' 70' ' ' GLY . . . 79.36 -144.5 27.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -97.11 -13.65 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 110.047 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.567 ' ND2' ' CE1' ' A' ' 38' ' ' TYR . 2.9 m-20 -79.51 -166.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 p -125.13 45.69 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.567 ' CE1' ' ND2' ' A' ' 36' ' ' ASN . 1.6 m-85 -98.39 147.54 33.27 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.903 ' CD ' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.02 -171.42 9.37 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.013 -2.494 . . . . 0.0 110.941 0.069 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 32.6 p80 -178.96 161.93 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.622 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 42' ' ' TYR . 1.3 tttm -41.29 162.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.706 ' O ' ' C ' ' A' ' 43' ' ' ASN . 14.5 t80 -148.69 11.95 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.537 1.148 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.706 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -4.79 86.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.234 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.754 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.1 p-10 -55.08 164.31 0.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.754 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -172.97 -40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 100' ' ' PHE . 11.2 mt-10 -43.77 -20.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 117.64 56.06 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 90' ' ' ILE . 92.5 m-85 -103.41 134.59 46.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.67 68.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.975 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.3 m-30 -69.0 121.27 16.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -77.09 21.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.995 HG21 ' O ' ' A' ' 85' ' ' GLN . 12.9 m -127.57 147.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 54' ' ' SER . 51.1 m -85.54 135.97 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.743 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 2.4 p -41.07 166.78 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 1.126 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.01 175.52 47.5 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.021 0.055 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 42' ' ' TYR . 22.4 m-85 -115.22 109.01 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.947 ' N ' ' O ' ' A' ' 80' ' ' PHE . 13.4 m-30 -95.22 120.55 35.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.704 ' CD ' ' CE1' ' A' ' 40' ' ' HIS . 7.2 pt-20 -89.36 122.26 32.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.961 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 45.5 t-105 -137.17 147.15 57.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.961 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.05 153.85 41.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.493 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 16.6 tt -121.56 114.88 44.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.378 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 66' ' ' ASP . 25.7 mt -86.4 123.51 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -66.93 -2.6 5.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.8 m -95.66 -15.97 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.04 39.56 9.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.71 ' HB2' HD13 ' A' ' 62' ' ' LEU . 1.2 m-20 -113.27 -173.05 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 22' ' ' ALA . 11.9 t -115.5 104.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.209 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.859 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 18.3 t80 -44.55 103.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.494 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 24.9 p -112.04 43.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.669 ' O ' ' CZ ' ' A' ' 68' ' ' TYR . . . -140.59 -160.58 8.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.671 ' HA2' ' HH ' ' A' ' 68' ' ' TYR . . . -112.65 -23.63 5.29 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -121.35 90.14 47.4 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.744 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.3 Cg_endo -75.08 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.571 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 168.02 175.0 37.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.768 ' HB1' ' H ' ' A' ' 92' ' ' HIS . . . -49.56 -49.5 46.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 0.825 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.582 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 5.9 m-20 -57.71 126.05 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.744 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.62 145.77 27.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.846 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -112.7 135.71 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.962 ' O ' ' N ' ' A' ' 87' ' ' ALA . 79.5 t -114.03 136.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.947 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.7 p90 -153.07 161.08 42.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.286 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.55 -109.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 1.286 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 2.2 tt0 -37.49 -63.56 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.158 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -163.9 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.888 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.919 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.9 23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.402 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -84.1 30.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.373 179.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.09 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -27.82 114.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.975 ' HB1' ' CG ' ' A' ' 50' ' ' PHE . . . -71.33 -37.07 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 165.19 -140.12 6.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.97 HG12 ' SG ' ' A' ' 103' ' ' CYS . 79.8 t -144.41 90.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 48' ' ' PHE . 1.3 pt -84.83 165.23 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -161.98 153.16 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.464 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.768 ' H ' ' HB1' ' A' ' 75' ' ' ALA . 7.8 m170 -83.15 14.28 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -49.3 84.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.409 1.068 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.714 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -52.12 -36.65 51.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.777 ' N ' HD21 ' A' ' 99' ' ' ASN . 12.0 t 138.02 40.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.42 -117.87 4.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 1.1 t-20 -93.92 -9.82 35.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.737 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.777 HD21 ' N ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -60.54 148.09 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.756 ' O ' HG13 ' A' ' 101' ' ' VAL . 19.3 m-85 -104.92 168.47 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 100' ' ' PHE . 30.9 m -163.29 136.57 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.617 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -58.09 126.3 26.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.172 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.5 m -54.79 -167.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 179.998 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -36.41 127.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.308 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 0.8 OUTLIER -129.54 -6.04 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.773 ' CB ' HG21 ' A' ' 89' ' ' VAL . 90.1 m-85 -134.39 87.61 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 9' ' ' ASN . 12.3 m -97.4 102.42 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.8 m -80.75 64.33 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.307 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.12 -54.41 0.81 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.429 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 13.9 p -131.15 53.65 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.759 . . . . 0.0 109.989 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.722 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -142.95 -175.49 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.315 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -178.13 60.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.269 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.71 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -127.05 99.56 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -64.58 178.6 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.977 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.481 ' N ' ' OG ' ' A' ' 12' ' ' SER . 26.4 p -50.91 -17.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.6 t -81.65 -29.43 33.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.936 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.687 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.74 -40.38 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.059 ' CG1' HD13 ' A' ' 86' ' ' LEU . 95.8 t -56.31 -47.04 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.488 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.3 t -36.38 -52.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -48.5 -54.85 12.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.085 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -58.21 -42.32 85.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.715 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 12.8 mt-30 -59.35 -54.69 43.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.37 -38.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.29 -52.16 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.611 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -53.01 -40.29 58.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.6 t80 -73.39 -71.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' CA ' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -34.56 -52.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.93 HD11 ' C ' ' A' ' 31' ' ' GLU . 9.4 tp -65.88 -38.45 88.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 28.9 t60 -63.5 -44.74 93.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.641 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -64.37 -26.87 68.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 6.3 m-20 -83.29 -20.92 33.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.99 23.93 70.54 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.571 1.169 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.93 ' C ' HD11 ' A' ' 26' ' ' LEU . 3.7 mm-40 -99.96 177.58 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 69.4 p -130.73 179.08 6.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.859 HG13 HD21 ' A' ' 26' ' ' LEU . 3.0 m -136.63 129.09 44.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 69' ' ' SER . . . 79.73 -147.06 29.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.7 m -96.75 -12.57 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.603 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.2 m-20 -80.21 -164.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.378 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 4.5 p -123.88 43.59 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.603 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-85 -95.27 145.33 29.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.612 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 -174.42 14.08 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.057 -0.025 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.743 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 29.9 p80 178.53 167.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.595 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.34 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.801 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 20.9 t80 -152.99 13.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.691 ' C ' ' O ' ' A' ' 42' ' ' TYR . 8.9 m-20 -4.81 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.744 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -58.27 170.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.744 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.3 OUTLIER -178.04 -43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.946 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 2.2 mp0 -41.64 -22.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 116.77 57.8 0.31 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 90' ' ' ILE . 87.8 m-85 -101.78 137.67 39.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.83 71.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.898 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 20.4 m-30 -75.0 115.38 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.9 p -75.33 21.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.036 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.067 HG21 ' O ' ' A' ' 85' ' ' GLN . 16.1 m -128.67 149.27 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.7 m -89.11 134.82 33.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.857 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -43.44 173.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.971 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.07 149.62 94.01 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.99 0.038 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 42' ' ' TYR . 24.9 m-85 -90.0 114.26 26.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.98 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -97.63 119.98 37.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.801 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.6 pt-20 -87.75 126.08 34.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.057 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 53.3 t-105 -143.6 148.73 44.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.057 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.96 156.22 43.14 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.504 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.6 tt -123.59 119.02 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.716 HD13 ' HB2' ' A' ' 66' ' ' ASP . 28.7 mt -91.65 119.43 31.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -64.38 -5.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -16.63 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.32 37.63 9.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.716 ' HB2' HD13 ' A' ' 62' ' ' LEU . 57.0 m-20 -111.53 -170.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.911 HG22 ' HB2' ' A' ' 22' ' ' ALA . 4.4 t -118.99 106.53 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.362 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.899 ' OH ' ' HA2' ' A' ' 71' ' ' GLY . 5.7 t80 -43.74 137.79 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.764 ' O ' ' O ' ' A' ' 70' ' ' GLY . 55.8 p -123.97 -67.29 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.046 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.764 ' O ' ' O ' ' A' ' 69' ' ' SER . . . -44.81 -155.26 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.899 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . -116.91 -10.14 10.23 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.7 p -116.03 81.69 10.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.713 ' HG2' ' NH1' ' A' ' 77' ' ' ARG . 18.1 Cg_endo -75.04 -56.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 77' ' ' ARG . . . 145.01 169.38 13.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.757 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -49.1 -45.66 43.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.602 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 6.7 m-20 -59.13 125.62 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.713 ' NH1' ' HG2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -148.93 145.19 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.795 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -109.4 141.77 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.945 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.4 t -120.16 135.45 60.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -152.38 162.26 41.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.273 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.53 -110.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 1.273 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 1.6 tt0 -36.93 -63.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.156 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -163.45 -78.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.934 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -85.98 23.87 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.39 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.96 31.42 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.059 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -28.01 114.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.945 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -71.37 -36.46 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.465 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . 164.39 -136.32 4.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.001 HG12 ' SG ' ' A' ' 103' ' ' CYS . 70.1 t -147.79 91.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.821 HD13 ' CG2' ' A' ' 79' ' ' VAL . 1.4 pt -85.17 164.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.757 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.29 146.2 11.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.633 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 7.9 m170 -71.5 22.02 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.575 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.603 ' H ' ' C ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -44.32 86.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 34.36 35.52 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.978 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -46.27 170.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.751 ' N ' HD21 ' A' ' 99' ' ' ASN . 13.2 t -68.48 11.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 95' ' ' ALA . . . 156.11 -124.36 1.46 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.59 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.3 t-20 -92.43 1.09 57.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.22 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.978 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 6.9 p30 -64.1 -162.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.67 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 42.4 m-85 -141.54 172.81 12.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 100' ' ' PHE . 27.6 m -161.07 133.15 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.1 OUTLIER -58.83 126.11 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 62.6 m -56.05 -162.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.749 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -164.76 122.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' N ' ' HB3' ' A' ' 12' ' ' SER . 9.7 m-20 -137.41 -5.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.896 ' CG ' HG21 ' A' ' 89' ' ' VAL . 85.6 m-85 -133.89 94.41 3.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 9' ' ' ASN . 11.5 m -100.89 104.81 16.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.0 m -81.49 64.61 6.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.11 -54.13 1.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.426 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 19.4 p -133.12 52.12 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.757 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -140.09 -175.28 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.749 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -177.0 59.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.28 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.711 ' OH ' ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -125.47 99.23 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.472 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 64.2 p -63.49 178.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -51.72 -16.79 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.81 -29.41 29.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.68 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.93 -39.42 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.014 ' CG1' HD13 ' A' ' 86' ' ' LEU . 88.0 t -56.52 -47.27 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.476 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 10.8 t -37.56 -50.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -49.8 -56.12 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.436 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.673 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -56.77 -42.95 80.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.666 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.4 mt-30 -57.21 -54.95 41.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -36.1 -37.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.212 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.949 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.01 -53.53 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.541 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -50.63 -40.15 39.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.157 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.771 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 7.2 t80 -72.46 -72.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 36.8 tptt -35.8 -51.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.919 HD11 ' C ' ' A' ' 31' ' ' GLU . 13.5 tp -67.67 -35.36 78.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.807 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 17.4 t60 -66.88 -45.68 77.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.643 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.85 -23.09 65.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 56.2 m-20 -84.26 -22.05 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.08 23.32 71.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.919 ' C ' HD11 ' A' ' 26' ' ' LEU . 3.2 mm-40 -97.7 178.58 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 82.7 p -136.08 170.4 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.912 HG13 HD21 ' A' ' 26' ' ' LEU . 3.1 m -133.68 136.14 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.482 ' HA3' ' N ' ' A' ' 71' ' ' GLY . . . 79.6 -150.41 32.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 m -98.87 0.14 43.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.629 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.9 m-20 -94.25 -165.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.2 p -121.79 42.07 3.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.629 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.5 m-30 -92.82 148.41 35.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.639 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 18.6 Cg_endo -74.96 -172.8 11.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.016 -0.054 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.627 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 27.4 p80 -177.74 171.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.546 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.502 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -53.66 168.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.705 ' HB2' ' HB3' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -160.11 -25.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.848 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 2.9 m-80 51.94 -107.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.848 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.4 p-10 153.67 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER 171.05 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 111.066 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.619 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -43.96 -20.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 109.49 59.34 0.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.368 1.043 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.862 ' CE1' HG22 ' A' ' 90' ' ' ILE . 82.5 m-85 -100.59 136.81 39.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 111.005 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 66.2 4.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.916 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 14.1 m-30 -70.74 101.58 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -73.14 24.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.044 HG21 ' O ' ' A' ' 85' ' ' GLN . 13.4 m -128.17 148.12 32.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 54' ' ' SER . 7.0 t -85.34 136.56 33.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.172 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.748 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 3.2 p -41.72 165.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 1.073 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.2 Cg_endo -75.04 175.89 45.89 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.927 0.147 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 19.7 m-85 -116.38 105.92 13.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.912 ' N ' ' O ' ' A' ' 80' ' ' PHE . 14.4 m-30 -92.22 144.94 24.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.8 pp20? -109.22 134.34 51.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.859 ' O ' ' N ' ' A' ' 78' ' ' VAL . 32.6 t-105 -156.45 141.23 12.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.152 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.1 148.62 35.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.673 HG13 ' HB2' ' A' ' 19' ' ' ALA . 4.3 tt -114.16 116.65 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 68' ' ' TYR . 95.8 mt -82.72 120.77 26.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 p -57.63 -13.93 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 110.021 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.59 -18.2 39.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.64 34.44 13.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.91 -174.05 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 ' HB2' ' A' ' 22' ' ' ALA . 25.1 t -105.15 106.42 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.152 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -42.63 112.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.974 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 p -102.19 -73.33 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' SER . . . -55.88 123.78 31.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.482 ' N ' ' HA3' ' A' ' 34' ' ' GLY . . . -65.64 65.41 0.11 Allowed Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.717 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 1.3 t -149.29 47.8 0.52 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.005 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.717 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.1 Cg_endo -75.04 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.774 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 20.97 92.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.43 1.081 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.094 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . 150.35 -85.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.254 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.679 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 50.4 m-20 -93.1 131.17 38.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.959 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -151.83 137.34 17.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.859 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -114.52 129.23 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.976 ' O ' ' N ' ' A' ' 87' ' ' ALA . 77.6 t -101.77 137.99 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.8 p90 -153.33 162.45 41.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.301 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.2 -107.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 1.301 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 30.1 tt0 -39.32 -63.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.237 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.159 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.55 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.909 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.54 22.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.431 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.64 33.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.014 HD13 ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -30.29 114.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.976 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -72.04 -37.39 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.516 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 170.98 -147.85 10.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.983 HG12 ' SG ' ' A' ' 103' ' ' CYS . 88.8 t -139.12 84.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.862 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -82.74 164.41 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.094 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -159.97 158.7 31.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.918 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.586 ' CE1' ' HA2' ' A' ' 74' ' ' GLY . 12.0 m170 -80.3 -12.93 59.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.548 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER -33.76 103.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 96' ' ' SER . . . 35.06 40.5 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.102 ' HB1' ' OD1' ' A' ' 99' ' ' ASN . . . -68.97 58.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.515 ' C ' ' O ' ' A' ' 95' ' ' ALA . 0.7 OUTLIER 29.68 35.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 95' ' ' ALA . . . 130.65 -128.33 5.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.5 t-20 -98.99 1.22 45.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 1.102 ' OD1' ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -62.72 179.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 28.7 m-85 -123.23 159.99 27.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.598 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 23.8 m -160.12 133.97 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -52.3 125.63 16.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.234 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -53.33 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 108.388 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 4' ' ' TYR . 52.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 2' ' ' CYS . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.506 ' HB3' ' C ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -34.87 127.97 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 108.366 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.492 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -127.5 -7.15 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.794 ' CG ' HG21 ' A' ' 89' ' ' VAL . 79.1 m-85 -134.08 84.04 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.476 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 10.2 m -93.47 103.24 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 19.9 m -81.39 63.11 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.15 -54.61 1.08 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.441 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 17.4 p -131.45 52.74 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.733 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -141.37 -175.04 4.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -177.36 60.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 108.339 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.726 ' CE1' ' O ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -127.92 96.75 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.954 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.492 ' CB ' ' HB2' ' A' ' 3' ' ' ASP . 44.1 p -65.2 -178.14 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 0.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.4 p -52.11 -17.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -81.07 -30.17 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.712 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -83.07 -43.59 16.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.081 ' CG1' HD12 ' A' ' 86' ' ' LEU . 92.6 t -53.95 -48.52 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.559 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 41.6 t -37.17 -55.5 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.78 -49.73 27.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.91 -41.64 98.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.772 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 13.9 mt-30 -59.34 -55.68 31.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.77 -36.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.813 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -75.34 -52.77 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.597 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.61 -40.31 47.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.585 1.178 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.743 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 6.4 t80 -74.18 -71.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 24' ' ' TYR . 41.9 tptt -35.32 -50.87 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.963 HD11 ' C ' ' A' ' 31' ' ' GLU . 11.2 tp -68.3 -35.95 78.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.833 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 20.0 t60 -65.89 -44.68 84.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.568 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.651 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -65.17 -28.47 69.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 25' ' ' LYS . 7.6 m-20 -81.45 -19.43 42.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.48 22.92 76.69 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.963 ' C ' HD11 ' A' ' 26' ' ' LEU . 4.8 mm-40 -97.03 179.59 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 0.727 . . . . 0.0 110.218 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.587 ' N ' HD11 ' A' ' 26' ' ' LEU . 67.1 p -134.82 175.39 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.9 HG13 ' CD2' ' A' ' 26' ' ' LEU . 4.5 m -131.87 162.36 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 51.44 -152.58 5.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -99.34 22.47 10.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.663 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.7 m-20 -114.3 -165.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.228 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -120.55 40.37 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.663 ' CD1' ' HB3' ' A' ' 36' ' ' ASN . 1.1 m-85 -94.25 150.05 37.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.603 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.08 -170.16 8.03 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.975 -2.511 . . . . 0.0 110.956 0.061 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.73 ' CE1' ' HG2' ' A' ' 58' ' ' GLU . 25.3 p80 179.18 170.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.567 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -47.66 168.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.697 ' O ' ' C ' ' A' ' 43' ' ' ASN . 37.9 t80 -151.15 12.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.697 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -8.03 87.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.779 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.3 p-10 -58.63 170.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.779 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -179.13 -42.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -42.46 -21.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.936 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 117.94 56.11 0.29 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.769 ' CE1' HG22 ' A' ' 90' ' ' ILE . 79.7 m-85 -103.62 132.11 50.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.75 72.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.91 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.3 m-30 -74.86 116.57 15.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.6 p -74.0 27.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.022 HG21 ' O ' ' A' ' 85' ' ' GLN . 13.1 m -133.91 147.57 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.374 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 54' ' ' SER . 58.1 m -88.69 134.97 33.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.914 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.5 p -43.55 172.38 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.967 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -75.07 151.07 96.35 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.004 0.078 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' TYR . 25.6 m-85 -90.97 113.42 25.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.031 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.7 m-30 -97.03 124.87 41.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.73 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 2.2 pp20? -89.85 134.24 34.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.799 ' HH2' HG11 ' A' ' 33' ' ' VAL . 59.1 t-105 -153.42 137.32 10.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.203 ' HG2' ' CG ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 149.01 36.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.558 1.82 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.602 ' HB ' HG13 ' A' ' 78' ' ' VAL . 8.3 tt -113.68 123.17 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 68' ' ' TYR . 79.4 mt -90.6 116.76 28.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -53.11 -18.48 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.066 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.17 -16.77 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.72 33.47 21.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -109.63 -174.09 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.813 HG22 ' HB2' ' A' ' 22' ' ' ALA . 18.1 t -105.31 107.88 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 1.203 ' CG ' ' HG2' ' A' ' 60' ' ' PRO . 7.1 t80 -40.52 94.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.458 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 14.4 p -119.91 21.87 11.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.392 1.057 . . . . 0.0 110.002 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.513 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -101.83 -75.58 1.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA2' ' OH ' ' A' ' 68' ' ' TYR . . . 122.6 33.5 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.799 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -141.28 42.3 0.46 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.98 179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.799 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -75.04 -101.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.971 ' C ' ' HE ' ' A' ' 77' ' ' ARG . . . 83.38 -83.18 1.62 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.719 ' O ' ' HG2' ' A' ' 77' ' ' ARG . . . -44.46 -103.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.972 ' O ' ' CD ' ' A' ' 77' ' ' ARG . 59.0 m-20 -58.46 127.03 30.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.972 ' CD ' ' O ' ' A' ' 76' ' ' ASP . 5.9 mmt180 -155.78 140.07 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.812 HG11 HG13 ' A' ' 16' ' ' VAL . 2.4 m -109.46 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.397 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.927 ' O ' ' N ' ' A' ' 87' ' ' ALA . 76.9 t -123.2 139.51 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 1.031 ' O ' ' N ' ' A' ' 57' ' ' TYR . 7.4 p90 -153.85 162.85 40.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.279 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.12 -112.15 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 1.279 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 35.7 tt0 -35.68 -62.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.192 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.38 -78.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.919 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.1 p30 -85.59 21.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.428 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -81.28 27.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.28 -179.952 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.161 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -24.26 117.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.927 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -73.26 -42.51 62.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.38 -139.08 5.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.426 1.079 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.973 HG12 ' SG ' ' A' ' 103' ' ' CYS . 89.7 t -147.16 91.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.774 HG13 ' CD1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -85.76 165.79 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -162.12 158.0 24.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.613 ' H ' ' HA ' ' A' ' 75' ' ' ALA . 19.4 m170 -83.08 1.61 39.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.523 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -38.83 91.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 32.17 41.53 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.422 1.076 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.628 ' O ' ' CB ' ' A' ' 96' ' ' SER . . . -63.25 -9.37 11.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.1 t 97.06 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.18 -131.43 9.05 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.8 t-20 -95.22 3.4 54.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.62 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -64.39 159.69 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.774 ' CD1' HG13 ' A' ' 90' ' ' ILE . 11.9 m-85 -114.91 161.76 17.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.617 ' CG1' ' O ' ' A' ' 100' ' ' PHE . 29.0 m -161.3 134.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HG2' ' CE1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -52.89 125.09 15.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.232 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.7 m -55.6 -164.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.336 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 -179.985 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.682 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -104.51 61.6 0.71 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 108.259 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -42.32 -27.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.809 ' CG ' HG21 ' A' ' 89' ' ' VAL . 70.2 m-85 -137.45 104.16 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.571 ' C ' ' HB3' ' A' ' 103' ' ' CYS . 1.0 OUTLIER -115.02 103.56 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 21.8 m -79.17 65.83 4.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.69 -46.01 3.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' ' OG ' ' A' ' 8' ' ' SER . 1.5 p -161.77 47.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.78 ' OD1' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -121.6 -165.67 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.39 1.056 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' A' ' 2' ' ' CYS . 48.9 t -172.82 77.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 108.325 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.928 ' C ' ' HB2' ' A' ' 15' ' ' ASP . 12.3 m-85 -91.41 43.68 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.842 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.1 p -24.91 148.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' SER . 18.9 p -37.49 -24.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 12' ' ' SER . 28.7 t -81.7 -23.91 36.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.928 ' HB2' ' C ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -81.84 -31.14 31.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.006 HG11 ' CD1' ' A' ' 86' ' ' LEU . 57.3 t -74.57 -63.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.526 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 3.9 t -38.94 -51.58 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -50.84 62.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -61.04 -43.28 99.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.845 ' OE1' HG12 ' A' ' 16' ' ' VAL . 16.7 mt-30 -58.02 -54.68 44.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.11 -41.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.754 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -73.57 -50.97 18.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.591 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -52.86 -40.35 57.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.709 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 4.9 t80 -73.99 -73.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -35.26 -51.79 0.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.902 HD21 HG13 ' A' ' 33' ' ' VAL . 53.8 tp -67.15 -36.82 82.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.822 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 12.3 t60 -64.34 -43.87 93.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.612 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.625 ' OE2' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -67.19 -26.88 66.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' OD2' ' O ' ' A' ' 25' ' ' LYS . 60.9 m-20 -78.91 -23.39 44.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.95 19.03 75.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.622 ' HB2' HD12 ' A' ' 26' ' ' LEU . 4.3 mm-40 -97.17 175.86 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.7 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 11.7 p -130.26 177.16 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.902 HG13 HD21 ' A' ' 26' ' ' LEU . 3.9 m -133.78 135.02 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 70' ' ' GLY . . . 75.64 -145.65 33.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -97.96 -7.93 29.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 0.761 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.601 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 3.5 m-20 -83.87 -166.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.9 p -123.43 41.3 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.7 ' O ' ' HA ' ' A' ' 32' ' ' THR . 1.3 m-85 -95.29 148.32 34.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.812 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.03 -173.15 11.82 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.916 -2.535 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.675 ' CD2' ' OE2' ' A' ' 58' ' ' GLU . 26.5 p80 179.78 171.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.63 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' CD ' ' ND2' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -54.22 168.62 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.917 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.771 ' OH ' ' CE2' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -160.29 -27.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.863 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 35.1 m-80 52.52 -105.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 109.365 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.863 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 1.3 p-10 152.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.805 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 174.43 -46.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -44.59 -19.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' C ' ' A' ' 45' ' ' TYR . . . 112.03 56.32 0.46 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.602 1.189 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.864 ' CE1' HG22 ' A' ' 90' ' ' ILE . 85.3 m-85 -100.29 137.15 39.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.24 72.13 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.22 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.797 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 16.4 m-30 -77.1 101.83 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.6 p -71.74 33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.059 HG21 ' O ' ' A' ' 85' ' ' GLN . 22.2 m -137.23 149.56 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.581 1.175 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 54' ' ' SER . 3.4 m -85.97 130.84 34.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.841 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 1.3 p -42.37 171.29 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.992 ' O ' ' HA ' ' A' ' 81' ' ' ASN . 18.4 Cg_endo -74.88 153.16 99.02 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.982 -0.123 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 25.7 m-85 -94.2 111.76 23.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.904 ' N ' ' O ' ' A' ' 80' ' ' PHE . 16.3 m-30 -94.48 147.26 23.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 1.7 pp20? -111.57 135.73 51.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.934 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 55.3 t-105 -154.41 143.81 15.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.934 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.02 152.29 40.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.546 ' CG2' ' HB3' ' A' ' 76' ' ' ASP . 15.2 tt -116.87 131.16 70.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.931 HD23 ' CE2' ' A' ' 68' ' ' TYR . 72.8 mt -94.5 122.86 37.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -61.51 -9.38 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.22 -11.66 37.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.82 34.29 27.94 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' C ' HD12 ' A' ' 62' ' ' LEU . 17.3 m-20 -114.77 -163.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 22' ' ' ALA . 10.4 t -114.18 124.16 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.931 ' CE2' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -72.43 102.88 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.951 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.588 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 31.6 p -98.96 -54.89 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.491 ' O ' ' CA ' ' A' ' 34' ' ' GLY . . . -38.71 -41.84 1.31 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.66 ' C ' ' HD3' ' A' ' 73' ' ' PRO . . . 85.6 34.88 12.6 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.792 ' N ' ' HD3' ' A' ' 73' ' ' PRO . 46.3 t -125.71 42.63 0.8 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HD3' ' N ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.96 -35.97 2.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.754 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . 15.48 91.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.754 ' HB2' ' O ' ' A' ' 74' ' ' GLY . . . 140.68 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.629 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 13.0 m-20 -67.37 127.88 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.858 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -150.58 136.76 18.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.89 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -106.16 133.69 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.811 ' O ' ' N ' ' A' ' 87' ' ' ALA . 64.9 t -108.33 138.87 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.904 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.2 p90 -154.25 160.03 41.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.545 ' ND2' ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -99.18 -114.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 1.346 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 0.8 OUTLIER -39.72 -60.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.197 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.68 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.898 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.3 p30 -81.71 20.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.545 ' CG ' ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -81.01 36.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.006 ' CD1' HG11 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -30.01 114.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.811 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . -79.37 -40.18 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.89 -143.31 8.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.92 HG12 ' SG ' ' A' ' 103' ' ' CYS . 36.8 t -147.35 91.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 0.794 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.864 HG22 ' CE1' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -83.73 163.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.855 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -160.74 158.68 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.401 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.745 ' CD2' ' CE1' ' A' ' 100' ' ' PHE . 11.5 m170 -90.44 -8.34 50.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.513 -179.935 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.09 -18.85 64.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.853 ' O ' HG21 ' A' ' 101' ' ' VAL . . . -125.83 34.57 3.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.852 ' HB1' ' ND2' ' A' ' 99' ' ' ASN . . . -130.73 -44.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 77.03 55.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.428 ' O ' ' ND1' ' A' ' 92' ' ' HIS . . . 148.37 -134.6 5.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.584 ' HA ' ' CE1' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -93.57 -10.96 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 0.728 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.852 ' ND2' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -65.01 157.56 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.745 ' CE1' ' CD2' ' A' ' 92' ' ' HIS . 17.0 m-85 -121.0 162.04 20.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.853 HG21 ' O ' ' A' ' 94' ' ' GLY . 32.7 m -161.21 134.08 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' CYS . 0.0 OUTLIER -56.5 123.46 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.237 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.389 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 67.6 m -55.52 -167.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.963 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.717 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -163.43 118.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.35 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER -135.15 -10.08 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.798 ' CB ' HG21 ' A' ' 89' ' ' VAL . 90.2 m-85 -129.23 95.72 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 9' ' ' ASN . 20.3 m -103.15 103.93 14.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 103' ' ' CYS . 10.3 m -81.94 67.12 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.71 -54.75 0.96 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.4 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 6.7 p -132.46 53.73 1.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.469 0.747 . . . . 0.0 109.996 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.768 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.1 m-80 -141.03 -176.64 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.717 ' SG ' ' CB ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -176.78 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 108.283 179.946 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.707 ' HB2' ' HB3' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -124.77 100.15 6.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.427 ' HB3' ' N ' ' A' ' 3' ' ' ASP . 79.6 p -63.73 178.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.405 ' HB3' HD21 ' A' ' 86' ' ' LEU . 1.4 p -51.46 -17.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 12' ' ' SER . 34.7 t -82.28 -28.83 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.707 ' HB3' ' HB2' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -83.84 -41.49 17.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.452 1.095 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.033 HG11 HD13 ' A' ' 86' ' ' LEU . 98.2 t -55.28 -45.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.504 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 39.5 t -36.76 -50.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -50.42 -54.77 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' A' ' 61' ' ' ILE . . . -57.49 -41.9 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.69 ' CD ' ' HB2' ' A' ' 86' ' ' LEU . 15.7 mt-30 -57.94 -55.14 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' GLN . . . -35.78 -36.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.979 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -74.92 -53.45 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.745 ' HA2' ' HG3' ' A' ' 39' ' ' PRO . . . -51.01 -40.5 43.41 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.678 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 8.8 t80 -72.76 -68.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' CD ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -35.15 -55.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.894 HD11 ' C ' ' A' ' 31' ' ' GLU . 20.6 tp -64.41 -34.33 77.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.861 ' NE2' ' CE2' ' A' ' 57' ' ' TYR . 26.5 t60 -67.35 -49.95 61.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -55.48 -27.47 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.18 -16.9 34.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.91 26.93 73.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.894 ' C ' HD11 ' A' ' 26' ' ' LEU . 59.6 mm-40 -108.99 170.89 7.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.76 HG21 ' HA ' ' A' ' 37' ' ' SER . 81.4 p -122.09 173.49 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.022 HG11 ' HH2' ' A' ' 59' ' ' TRP . 16.5 m -104.59 123.11 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.833 ' O ' ' OG ' ' A' ' 35' ' ' SER . . . -11.69 85.28 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.943 ' CB ' ' N ' ' A' ' 71' ' ' GLY . 51.6 m 154.99 -140.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' SER . 9.6 m-20 -49.94 -154.85 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.76 ' HA ' HG21 ' A' ' 32' ' ' THR . 19.2 p -108.85 38.43 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.65 ' CE1' ' CB ' ' A' ' 36' ' ' ASN . 0.9 OUTLIER -82.99 141.34 43.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.881 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.92 -177.62 21.0 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.064 -2.473 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.634 ' CE1' ' CD ' ' A' ' 58' ' ' GLU . 31.9 p80 -176.25 166.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.612 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.15 168.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.709 ' O ' ' C ' ' A' ' 43' ' ' ASN . 18.9 t80 -151.79 12.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.709 ' C ' ' O ' ' A' ' 42' ' ' TYR . 1.5 m-80 -5.88 88.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.8 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.5 p-10 -60.05 176.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.8 ' CD1' ' O ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER 175.07 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.964 179.94 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 1.9 mm-40 -42.37 -21.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . . . 118.56 56.02 0.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.744 ' CE1' HG22 ' A' ' 90' ' ' ILE . 85.5 m-85 -100.32 132.21 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 0.732 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.84 69.62 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 1.014 ' CG ' ' HB1' ' A' ' 87' ' ' ALA . 21.2 m-30 -72.45 118.35 15.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 98.3 p -76.29 25.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.984 HG21 ' O ' ' A' ' 85' ' ' GLN . 6.4 m -131.94 147.23 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.501 ' O ' ' O ' ' A' ' 54' ' ' SER . 68.2 m -85.87 135.82 33.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.817 ' HB2' ' HA ' ' A' ' 55' ' ' PRO . 5.9 p -39.94 166.39 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 1.075 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 18.3 Cg_endo -74.98 178.11 36.1 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.069 -0.082 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 42' ' ' TYR . 22.8 m-85 -117.92 107.81 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.975 ' N ' ' O ' ' A' ' 80' ' ' PHE . 12.6 m-30 -95.02 123.31 38.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.7 ' HB3' ' HB2' ' A' ' 42' ' ' TYR . 12.5 pt-20 -93.45 125.93 38.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 1.11 ' CD2' ' HD2' ' A' ' 60' ' ' PRO . 32.4 t-105 -142.64 150.78 55.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 107.978 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 1.11 ' HD2' ' CD2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.97 151.85 40.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.524 ' CD1' HG22 ' A' ' 16' ' ' VAL . 21.1 tt -119.27 113.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 68' ' ' TYR . 97.4 mt -84.23 118.77 24.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t -54.64 -14.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 62' ' ' LEU . 1.8 m -87.64 -12.67 44.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.07 34.26 33.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -108.71 -170.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.22 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.979 HG22 ' HB2' ' A' ' 22' ' ' ALA . 39.6 t -114.17 112.05 38.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.683 ' OH ' ' C ' ' A' ' 71' ' ' GLY . 10.3 t80 -41.79 158.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.451 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.5 p -98.36 -24.5 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.949 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.807 ' HA2' HG23 ' A' ' 33' ' ' VAL . . . 127.99 151.67 7.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.514 1.133 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.943 ' N ' ' CB ' ' A' ' 35' ' ' SER . . . 101.98 -138.79 14.09 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.645 ' N ' ' OH ' ' A' ' 68' ' ' TYR . 52.9 m -90.27 99.33 1.87 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.962 ' CG ' ' HB3' ' A' ' 60' ' ' PRO . 18.3 Cg_endo -74.9 4.48 4.65 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' C ' HH12 ' A' ' 77' ' ' ARG . . . 110.74 -102.09 1.45 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.724 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -141.77 -40.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 0.723 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.665 ' C ' ' HG2' ' A' ' 77' ' ' ARG . 3.7 m-20 -62.4 132.02 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.665 ' HG2' ' C ' ' A' ' 76' ' ' ASP . 15.6 mmt-85 -150.8 146.73 26.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.772 ' N ' ' O ' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -113.63 134.94 54.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.991 ' O ' ' N ' ' A' ' 87' ' ' ALA . 73.6 t -111.61 134.76 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.975 ' O ' ' N ' ' A' ' 57' ' ' TYR . 6.5 p90 -152.34 162.68 40.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.271 ' CG ' ' H ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.77 -107.13 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 1.271 ' H ' ' CG ' ' A' ' 81' ' ' ASN . 24.4 tt0 -38.14 -63.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.139 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -164.2 -77.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.92 ' C ' HE21 ' A' ' 85' ' ' GLN . 3.2 p30 -86.68 23.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 1.418 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -83.54 29.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.033 HD13 HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -27.53 114.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.946 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.014 ' HB1' ' CG ' ' A' ' 50' ' ' PHE . . . -70.62 -38.45 73.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.499 ' O ' HD12 ' A' ' 86' ' ' LEU . . . 168.92 -136.32 4.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.985 HG12 ' SG ' ' A' ' 103' ' ' CYS . 89.2 t -147.41 90.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.775 HD13 ' CG2' ' A' ' 79' ' ' VAL . 2.1 pt -85.99 165.36 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.724 ' HA ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -155.54 147.31 23.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 -179.923 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.801 ' O ' ' N ' ' A' ' 94' ' ' GLY . 11.3 m170 -69.96 8.78 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 109.596 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -46.25 72.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.801 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 66.61 -55.58 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.781 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . 40.07 23.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 94' ' ' GLY . 6.9 t 70.27 18.35 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.072 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 94' ' ' GLY . . . 148.34 -128.47 2.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 2.4 t-20 -95.76 7.86 45.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.781 ' ND2' ' O ' ' A' ' 95' ' ' ALA . 1.3 m-80 -66.07 -159.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.781 ' O ' HG13 ' A' ' 101' ' ' VAL . 46.3 m-85 -141.99 165.78 26.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 100' ' ' PHE . 21.6 m -163.73 135.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.607 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -56.05 125.93 23.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.341 179.93 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 65.8 m -55.51 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.342 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.937 . . . . . . . . 0 0 . 1 stop_ save_